SCHEMBL7716028

SCHEMBL7716028

OC1CC=C(c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
RHEB Q15382 2/20 0.35
ALDH1A1 P00352 2/20 0.33
SLC6A4 P31645 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.32
PDK2 Q15119 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL7711226 0.88 CCNT1 (0.36) CCNT1CDK9RHEBALDH1A1SLC6A4
SCHEMBL7712272 0.87 ESR2 (0.36) FAAHCCNT1CDK9RHEBALDH1A1
SCHEMBL7712475 0.87 CCNT1 (0.35) FAAHCCNT1CDK9RETKDR
SCHEMBL7713677 0.86 CDK9 (0.44) CCNT1CDK9ALDH1A1SLC6A4PTGDR2
SCHEMBL14753468 0.85 CCNT1 (0.40) CCNT1CDK9RHEBALDH1A1SLC6A4
SCHEMBL7711528 0.81 CDK9 (0.41) CCNT1CDK9ALDH1A1SLC6A4PTGDR2
SCHEMBL14753467 0.81 RHEB (0.38) FAAHRHEBALDH1A1SLC6A4PTGDR2
SCHEMBL7712724 0.81 CCNT1 (0.39) CCNT1CDK9ALDH1A1SLC6A4PTGDR2
SCHEMBL14753473 0.81 FFAR2 (0.39) FAAHRHEBALDH1A1SLC6A4PTGDR2
SCHEMBL14738748 0.76 RHEB (0.39) CDK9RHEBALDH1A1SLC6A4PTGDR2

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-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 FAAH 1/4885CCNT1 2182/4885CDK9 977/4885

“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.