SCHEMBL187534

SCHEMBL187534

N#Cc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.63
HRH1 P35367 2/20 0.61
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
HTR3A P46098 1/20 0.47
KCNH2 Q12809 1/20 0.47
IKBKB O14920 1/20 0.45
EPHX2 P34913 1/20 0.45

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 SCHEMBL2705400 0.98 HRH3 (0.61) HRH3HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL18318183 0.95 HRH3 (0.58) HRH3HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL8271830 0.89 HRH3 (0.55) HRH3HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL13636042 0.89 HRH3 (0.55) HRH3HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL31632587 0.89 HRH3 (0.55) HRH3HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL22138868 0.88 HRH3 (0.71) HRH3HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL5024491 0.88 HRH3 (0.71) HRH3HRH1SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL4233307 0.85 EPHX2 (0.50) HRH3HRH1KCNH2EPHX2
SCHEMBL21130985 0.85 HRH3 (0.67) HRH3EPHX2
SCHEMBL247758 0.85 HRH3 (0.71) HRH3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951040-B2 1,3,5 -triazine based PI3K inhibitors as anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US claimed
US-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-11-30 US claimed
EP-3221307-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2017-09-27 EP claimed
WO-2016079760-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-05-26 WO claimed
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-16 US disclosed
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-26 US disclosed
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
EP-4144735-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2023-03-08 EP disclosed
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT DIGMBIO. INC. (KR) 2023-01-26 US disclosed
CN-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 CN disclosed
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO disclosed
WO-2002012190-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed
EP-1030836-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP disclosed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 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 (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-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HRH3 437/4885HRH1 326/4885SLC6A2 4689/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 HRH3 1000/4885HRH1 1109/4885SLC6A2 4053/4885
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors RET, BRAF, ROR1 HRH3 1469/4885HRH1 1202/4885SLC6A2 4195/4885
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) FAAH, FAAH2, EPHX2 HRH3 230/4885HRH1 169/4885SLC6A2 2175/4885
US-20170342049-A1 NOVEL 1,3,5 -TRIAZINE BASED PI3K INHIBITORS AS ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF PIK3CA, PIK3R5, PIK3CD HRH3 4044/4885HRH1 3298/4885SLC6A2 4708/4885
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT PARP1, PARP2, PARP11 HRH3 3708/4885HRH1 1819/4885SLC6A2 4782/4885

“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.