SCHEMBL1876540

SCHEMBL1876540

O=C(NC1CCCCC1)c1cc[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 11/20 0.49
RAB9A P51151 11/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
S1PR1 P21453 2/20 0.48
HSD11B1 P28845 1/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4440234 1.00 HPGD (0.51) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4283681 0.98 HPGD (0.49) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4705235 0.95 GRM5 (0.48) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5592779 0.92 MAPK8 (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30332358 0.86 HSD11B1 (0.47) HPGDALDH1A1NPC1RAB9AHSD11B1
SCHEMBL3937594 0.86 SMYD3 (0.52)
SCHEMBL15416709 0.84 CNR2 (0.46) NPC1RAB9A
Hydrochloric Acid SCHEMBL30675644 0.84 SMYD3 (0.53)
Hydrochloric Acid SCHEMBL30675640 0.84 SMYD3 (0.53)
SCHEMBL8226069 0.82 SIGMAR1 (0.44) ALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007009690-A1 HETEROCYCLYL-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A (ES) 2007-01-25 WO claimed
US-12454530-B2 Amido cyclohexane acid derivatives as LPA receptor inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-10-28 US disclosed
EP-4182301-B1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARM SPA (IT) 2024-09-04 EP disclosed
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-08-10 US disclosed
EP-4182301-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2758377-B1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
EP-2758050-B1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-08-31 EP disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
EP-2758050-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-30 EP disclosed
WO-2013043964-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013040863-A1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043962-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
US-7981896-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-07-19 US disclosed
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-05-12 US disclosed
US-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 US disclosed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 US disclosed
EP-1622876-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004099157-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-18 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 (4 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-12454530-B2 Amido cyclohexane acid derivatives as LPA receptor inhibitors LPAR1, LPAR2, LPAR3 HPGD 1036/4885ALDH1A1 1600/4885NPC1 329/4885
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 HPGD 1036/4885ALDH1A1 1600/4885NPC1 329/4885
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS GPR119, HCRTR2, HCRTR1 HPGD 1606/4885ALDH1A1 799/4885NPC1 196/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 HPGD 1046/4885ALDH1A1 2066/4885NPC1 1068/4885

“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.