SCHEMBL3698679

SCHEMBL3698679

COc1ccc2c(c1)CCN(C)CC2

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 11/20 0.86
DRD5 P21918 10/20 0.86
DRD2 P14416 9/20 0.86
DRD3 P35462 9/20 0.86
DRD4 P21917 6/20 0.81
SIGMAR1 Q99720 2/20 0.58
HRH3 Q9Y5N1 1/20 0.57
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
SLC6A4 P31645 1/20 0.56
RYR2 Q92736 1/20 0.54

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
Hydrochloric Acid SCHEMBL10702384 0.98 DRD1 (0.83) DRD1DRD5DRD2DRD3DRD4
SCHEMBL29515933 0.94 DRD1 (0.88) DRD1DRD5DRD2DRD3DRD4
SCHEMBL14340583 0.94 DRD1 (0.88) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11823744 0.93 DRD1 (0.85) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11819711 0.93 DRD1 (0.85) DRD1DRD5DRD2DRD3DRD4
SCHEMBL4317508 0.92 DRD1 (0.79) DRD1DRD5DRD2DRD3DRD4
SCHEMBL29843474 0.92 DRD1 (0.79) DRD1DRD5DRD2DRD3DRD4
SCHEMBL5476860 0.90 DRD1 (0.71) DRD1DRD5DRD2DRD3DRD4
SCHEMBL23975613 0.86 DRD1 (0.66) DRD1DRD5DRD2DRD3DRD4
SCHEMBL2607471 0.85 DRD1 (0.62) DRD1DRD5DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2021-11-23 US disclosed
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2018102366-A1 ANILINOPYRIMIDINES AS HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-07 WO disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-20050261279-A1 Compounds GLAXO GROUP LIMITED (GB) 2005-11-24 US disclosed
WO-2005051916-A1 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS GLAXO GROUP LIMITED (GB) 2005-06-09 WO disclosed
WO-2005051397-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-06-09 WO disclosed
WO-2005025576-A1 7-HETEROARYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-03-24 WO disclosed
EP-1511727-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2005-03-09 EP disclosed
WO-2005016891-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-24 WO disclosed
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed
WO-2003099786-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2003-12-04 WO disclosed
US-4233217-A USED AS ANALGESICS, NARCOTIC ANTAGONISTS, AND ANTIHISTAMINES PENNWALT CORPORATION (US) 1980-11-11 US disclosed
US-4210749-A USED AS ANALGESICS, NARCOTIC ANTAGONISTS PENNWALT CORPORATION (US) 1980-07-01 US 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 (3 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-20050261279-A1 Compounds CBR1, CBR3, OXER1 DRD1 1971/4885DRD5 3417/4885DRD2 1778/4885
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H DRD1 543/4885DRD5 473/4885DRD2 935/4885
US-11180482-B2 Anilinopyrimidines as haematopoietic progenitor kinase 1 (HPK1) inhibitors STK16, STK4, STK26 DRD1 3255/4885DRD5 4304/4885DRD2 3999/4885

“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.