SCHEMBL2267443

SCHEMBL2267443

COc1cc(C)nc2c1[nH]c(=O)n2C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1E P28566 1/20 0.43
CHRNA3 P32297 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.38
ADORA2B P29275 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DAO P14920 1/20 0.38

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
SCHEMBL12434232 0.76 CHRNB2 (0.44) CHRNB2ADRA1DHTR1ECHRNA3ADRA1A
SCHEMBL17025973 0.69 CHRNB2 (0.46) CHRNB2ADRA1DHTR1ECHRNA3ADRA1A
SCHEMBL29125323 0.66 PDE3B (0.42) PDE3BPDE3A
SCHEMBL2268013 0.65 KDM4E (0.59) KDM4ECYP3A4PDE3BPDE3AGAA
SCHEMBL7885985 0.65 RXFP1 (0.55) CHRNB2ADRA1DHTR1ECHRNA3ADRA1A
SCHEMBL17813483 0.64 LMNA (0.45) KDM4ECYP1A2CYP3A4PDE3BPDE3A
SCHEMBL11160869 0.62 LMNA (0.59) KDM4ECYP1A2CYP3A4PDE3BPDE3A
SCHEMBL387339 0.62 ALDH1A1 (0.54) CHRNB2ADRA1DHTR1ECHRNA3ADRA1A
SCHEMBL194512 0.62 DAO (0.69) KDM4EGAAMAPTTSHRALDH1A1
SCHEMBL25682660 0.61 LMNA (0.51) KDM4EPDE3BPDE3AALDH1A1DAO

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 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 (1 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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH CHRNB2 314/4885ADRA1D 104/4885HTR1E 143/4885

“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.