SCHEMBL5001

SCHEMBL5001

O=C(O)CN1CC[N]CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
SLC6A9 P48067 1/20 0.37
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TGM2 P21980 1/20 0.31

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
SCHEMBL6550370 0.98 HSD17B10 (0.50) HSD17B10SLC6A9TSHRGAAS1PR1
SCHEMBL2916590 0.91 HSD17B10 (0.45) HSD17B10SLC6A9TSHRGAAKDM4E
Tetraxetan SCHEMBL2017956 0.81 HSD17B10 (0.64) HSD17B10SLC6A9TSHRGAAS1PR1
SCHEMBL173508 0.81 HSD17B10 (0.64) HSD17B10SLC6A9TSHRGAAS1PR1
SCHEMBL3503521 0.81 HSD17B10 (0.64) HSD17B10SLC6A9TSHRGAAS1PR1
SCHEMBL6848102 0.81 HSD17B10 (0.64) HSD17B10SLC6A9TSHRGAAS1PR1
SCHEMBL321989 0.81 HSD17B10 (0.64) HSD17B10SLC6A9TSHRGAAS1PR1
Tetraxetan SCHEMBL18018 0.81 HSD17B10 (0.64) HSD17B10SLC6A9TSHRGAAS1PR1
Tetraxetan SCHEMBL2635294 0.81 HSD17B10 (0.64) HSD17B10SLC6A9TSHRGAAS1PR1
SCHEMBL6744121 0.81 HSD17B10 (0.64) HSD17B10SLC6A9TSHRGAAS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP claimed
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 EP claimed
EP-1981892-B1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA SA (BE) 2014-03-12 EP claimed
US-8653105-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 US claimed
US-8637543-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-01-28 US claimed
EP-2499144-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2013-10-23 EP claimed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO claimed
US-20130018057-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-17 US claimed
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 US claimed
US-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 US claimed
US-20030119819-A1 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors SUGEN, INC. 2003-06-26 US claimed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US claimed
WO-2003022815-A1 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2003-03-20 WO claimed
JP-2003502405-A 2003-01-21 JP claimed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN claimed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP claimed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO claimed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US claimed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 WO claimed

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

For each of this compound's patents that has machine-readable text (5 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-20130018057-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, CDK3, MAP3K13 HSD17B10 4522/4885SLC6A9 4857/4885TSHR 3001/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 HSD17B10 1790/4885SLC6A9 3825/4885TSHR 1688/4885
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, MAP2K2, PDPK1 HSD17B10 3083/4885SLC6A9 4712/4885TSHR 3025/4885
US-20030119819-A1 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors SRC, LCK, MAP3K20 HSD17B10 1383/4885SLC6A9 4684/4885TSHR 3870/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 HSD17B10 3719/4885SLC6A9 800/4885TSHR 245/4885

“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.