SCHEMBL1865674

SCHEMBL1865674

COc1ccc(C(C#N)C(C)=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
PRNP P04156 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL1866333 0.84 HTT (0.42) ACACBMAPK1ALDH1A1CYP3A4HPGD
SCHEMBL5730137 0.84 CYP1A2 (0.44) ALDH1A1CYP3A4HTTNPSR1MAPT
SCHEMBL5102368 0.82 HTT (0.41) ACACBMAPK1ALDH1A1CYP3A4HPGD
Potassium SCHEMBL5102369 0.82 HTT (0.41) ACACBMAPK1ALDH1A1CYP3A4HPGD
SCHEMBL6049469 0.81 ALDH1A1 (0.47) ALDH1A1HTTMAPTMEN1LMNA
SCHEMBL30211225 0.79 MDM2 (0.41) ALDH1A1HPGDMDM2LMNA
SCHEMBL157185 0.79 MDM2 (0.41) ALDH1A1HPGDMDM2LMNA
SCHEMBL12630667 0.78 HPGD (0.38) ACACBJAK2TYK2HTR2ASLC6A4
SCHEMBL837745 0.77 ESR2 (0.37) S1PR1S1PR3JAK2TYK2MDM2
SCHEMBL3687105 0.76 SLC6A4 (0.44) ACACBHTR2ASLC6A4KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531490-B1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-10-15 EP disclosed
US-8835444-B2 Cyclohexyl amide derivatives as CRF receptor antagonists NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20120316185-A1 Cyclohexyl Amide Derivatives as CRF Receptor Antagonists NOVARTIS AG (CH) 2012-12-13 US disclosed
EP-2531490-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS Novartis AG (CH) 2012-12-12 EP disclosed
EP-1832590-B1 Heterotricyclic compounds as CRF receptor antagonists ONO PHARMACEUTICAL CO (JP) 2011-09-28 EP disclosed
EP-1832590-B1 Heterotricyclic compounds as CRF receptor antagonists ONO PHARMACEUTICAL CO (JP) 2011-09-28 EP disclosed
WO-2011095450-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-11 WO disclosed
US-7947697-B1 8-(3-pentylamino)-2-methyl-3-(2-chloro-4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d] pyrazolo[1,5-a]pyrimidine methanesulfonate as a CRF antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-7947697-B1 8-(3-pentylamino)-2-methyl-3-(2-chloro-4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d] pyrazolo[1,5-a]pyrimidine methanesulfonate as a CRF antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-7807688-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 US disclosed
US-7459459-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-12-02 US disclosed
US-7459459-B2 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-12-02 US disclosed
EP-1354884-B1 CYCLOPENTA[D]PYRAZOLO[1,5-A]PYRIMIDINE COMPOUND AS CRF RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO (JP) 2007-10-10 EP disclosed
EP-1832590-A2 Tri- heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-12 EP disclosed
EP-1832590-A2 Tri- heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-12 EP disclosed
US-20060122392-A1 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2006-06-08 US disclosed
US-7034153-B2 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-25 US disclosed
EP-1637531-A1 METHANESULFONIC ACID SALT OF PYRAZOLOPYRIMIDINE COMPOUND, CRYSTAL THEREOF, AND PROCESS FOR PRODUCING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP disclosed
US-20040072833-A1 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1354884-A1 TRICYCLIC AND HETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-22 EP 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-20060122392-A1 Tri-heterocyclic compounds and a pharmaceutical comprising them as an active ingredient NR3C1, CRHR2, CRHR1 ACACB 3427/4885S1PR1 2018/4885S1PR3 1341/4885
US-20120316185-A1 Cyclohexyl Amide Derivatives as CRF Receptor Antagonists CRHR2, CRHR1, CRH ACACB 2515/4885S1PR1 771/4885S1PR3 782/4885
US-20040072833-A1 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient CRH, CRHR1, CRHR2 ACACB 3527/4885S1PR1 1545/4885S1PR3 2112/4885

“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.