SCHEMBL407832

SCHEMBL407832

c1cnc(C2NCCN2)nc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL2168771 0.72 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL9372641 0.72 ALDH1A1 (0.42) KDM4EALDH1A1
SCHEMBL5497756 0.72
SCHEMBL27612100 0.70 HDAC8 (0.31)
SCHEMBL231126 0.70 PARP1 (0.35) KDM4EALDH1A1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL22092380 0.70 CHRNB2 (0.45) KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL17925895 0.69 IKBKB (0.33)
SCHEMBL7464088 0.69 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL3921342 0.67 CHRNB2 (0.52) CHRNB2CHRNA4
SCHEMBL8222045 0.67 CHRNB2 (0.52) CHRNB2CHRNA4

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 375 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-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
CN-1079471-A 3-(ketone of replacement and alcohol)-2-(2-tetrahydroglyoxaline-2-yl) pyridine and quinoline herbicidal agents AMERICAN CYANAMID CO (US) 1993-12-15 CN 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 (6 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 KDM4E 3879/4885ALDH1A1 1058/4885CHRNB2 3305/4885
US-10238712-B2 Compositions useful for the treatment of gastrointestinal disorders GUCY1A1, TNF, GUCY1A2 KDM4E 4211/4885ALDH1A1 1700/4885CHRNB2 990/4885
US-20190262420-A1 COMPOSITIONS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GUCY1A1, TNF, GUCY1A2 KDM4E 4211/4885ALDH1A1 1700/4885CHRNB2 990/4885
US-20200113968-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR DOWNREGULATION OF PRO-INFLAMMATORY CYTOKINES GUCY1A1, GUCY1A2, GUCY1B2 KDM4E 2891/4885ALDH1A1 2674/4885CHRNB2 551/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 KDM4E 3462/4885ALDH1A1 2630/4885CHRNB2 2969/4885
US-20020169134-A1 Use of substituted azetidinone compounds for the treatment of sitosterolemia CYP46A1, CYP27A1, CYP51A1 KDM4E 2344/4885ALDH1A1 2090/4885CHRNB2 3645/4885

“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.