SCHEMBL407831

SCHEMBL407831

c1cnc(N2CCNC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 1/20 0.73
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
PLD1 Q13393 1/20 0.50
HSD17B10 Q99714 3/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
EPHX2 P34913 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR7 P34969 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
2-Piperazin-1-Yl-Pyrimidine SCHEMBL893739 0.86 ALDH1A1 (0.95) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
2-Piperazin-1-Yl-Pyrimidine SCHEMBL169214 0.86 ALDH1A1 (0.95) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
2-Piperazin-1-Yl-Pyrimidine SCHEMBL27920766 0.84 ALDH1A1 (0.91) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
2-Piperazin-1-Yl-Pyrimidine SCHEMBL5375472 0.84 ALDH1A1 (0.91) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
2-Piperazin-1-Yl-Pyrimidine SCHEMBL924147 0.84 ALDH1A1 (1.00) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
2-Piperazin-1-Yl-Pyrimidine SCHEMBL27324991 0.84 ALDH1A1 (0.91) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
2-Piperazin-1-Yl-Pyrimidine SCHEMBL101561 0.84 ALDH1A1 (1.00) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
2-Piperazin-1-Yl-Pyrimidine SCHEMBL6861317 0.83 ALDH1A1 (0.96) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
SCHEMBL1254909 0.79 ALDH1A1 (0.81) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
Hydrochloric Acid SCHEMBL27146448 0.78 ALDH1A1 (0.85) ALDH1A1KDM4ECYP2D6CYP3A4TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 390 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109893528-B Use of koumine for treating lipid metabolism disorder and related diseases or symptoms thereof 福建医科大学 2022-12-06 CN disclosed
US-20200113968-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR DOWNREGULATION OF PRO-INFLAMMATORY CYTOKINES BAUSCH HEALTH IRELAND LTD (IE) 2020-04-16 US disclosed
US-10597424-B2 Agonists of guanylate cyclase and their uses BAUSCH HEALTH IRELAND LIMITED (IE) 2020-03-24 US disclosed
CN-105963676-B Agonists of guanylate cyclase for the treatment of hypercholesterolemia, atherosclerosis, coronary heart disease, gallstones, obesity and other cardiovascular diseases 药物协和股份有限公司 2020-02-18 CN disclosed
US-20190263861-A1 AGONISTS OF GUANYLATE CYCLASE AND THEIR USES JPMORGAN CHASE BANK, N.A. 2019-08-29 US disclosed
US-20190262420-A1 COMPOSITIONS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS SYNERGY PHARMACEUTICALS INC (US) 2019-08-29 US disclosed
EP-2188293-B1 6-SUBSTITUTED SULFONYL AZABICYCLOÝ3.2.1¨OCTANES USEFUL TO INHIBIT 11 -HYDROXYSTEROID DEHYDROGENASE TYPE-1 MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
US-10238712-B2 Compositions useful for the treatment of gastrointestinal disorders SYNERGY PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
US-10118946-B2 Agonists of guanylate cyclase and their uses SYNERGY PHARMACEUTICALS INC. (US) 2018-11-06 US disclosed
EP-3357502-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF COLON CANCER Synergy Pharmaceuticals Inc. (US) 2018-08-08 EP disclosed
US-20020183305-A1 Combinations of nicotinic acid and derivatives thereof and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORPORATION 2002-12-05 US disclosed
US-20020169134-A1 Use of substituted azetidinone compounds for the treatment of sitosterolemia SCHERING CORPORATION 2002-11-14 US disclosed
US-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORPORATION 2002-10-17 US disclosed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 US disclosed
WO-2002058732-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) ACTIVATOR(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058685-A2 COMBINATIONS OF NICOTINIC ACID AND DERIVATIVES THEREOF AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058733-A2 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058731-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058734-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058696-A2 THE USE OF SUBSTITUTED AZETIDINONE COMPOUNDS FOR THE TREATMENT OF SITOSTEROLEMIA SCHERING CORPORATION (US) 2002-08-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications PPARG, PPARA, PPARD ALDH1A1 1058/4885KDM4E 3879/4885CYP2D6 572/4885
US-10238712-B2 Compositions useful for the treatment of gastrointestinal disorders GUCY1A1, TNF, GUCY1A2 ALDH1A1 1700/4885KDM4E 4211/4885CYP2D6 3205/4885
US-20190262420-A1 COMPOSITIONS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GUCY1A1, TNF, GUCY1A2 ALDH1A1 1700/4885KDM4E 4211/4885CYP2D6 3205/4885
US-20200113968-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR DOWNREGULATION OF PRO-INFLAMMATORY CYTOKINES GUCY1A1, GUCY1A2, GUCY1B2 ALDH1A1 2674/4885KDM4E 2891/4885CYP2D6 4781/4885
US-20020183305-A1 Combinations of nicotinic acid and derivatives thereof and sterol absorption inhibitor(s) and treatments for vascular indications CYP46A1, APOB, SLC10A2 ALDH1A1 1203/4885KDM4E 3999/4885CYP2D6 857/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 ALDH1A1 2630/4885KDM4E 3462/4885CYP2D6 1441/4885
US-20020169134-A1 Use of substituted azetidinone compounds for the treatment of sitosterolemia CYP46A1, CYP27A1, CYP51A1 ALDH1A1 2090/4885KDM4E 2344/4885CYP2D6 756/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.