SCHEMBL7704670

SCHEMBL7704670

Clc1ccc(Sc2c(CC3CCCCC3)[nH]c3ncccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
GSK3B P49841 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
GSK3A P49840 1/20 0.44
GCK P35557 2/20 0.37
RHEB Q15382 1/20 0.37
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL14738981 0.80 RHEB (0.41) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14738857 0.77 OPRL1 (0.38) GSK3BGSK3ARHEBOPRL1ALDH1A1
SCHEMBL7713894 0.77 DRD4 (0.44) RHEBOPRL1OPRM1OPRK1CYP1A2
SCHEMBL7705194 0.76 RHEB (0.39) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL7706342 0.75 RHEB (0.38) GSK3BRHEBALDH1A1KDM4ECYP1A2
SCHEMBL7707749 0.75 ALDH1A1 (0.42) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14753481 0.74 ALDH1A1 (0.48) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL7705773 0.74 ALDH1A1 (0.44) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL7712729 0.74 PDK2 (0.37) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14738973 0.74 PDK2 (0.37) RHEBALDH1A1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102917707-A Azaindole derivatives useful as modulators of FAAH MERCK SHARP & DOHME 2013-02-06 CN claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 CCNB2 2304/4885CDK1 1779/4885CCNB1 1966/4885

“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.