SCHEMBL7713818

SCHEMBL7713818

O=C1CCC(c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
PDK2 Q15119 1/20 0.36
HSD11B1 P28845 2/20 0.36
TYMS P04818 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
SLC6A4 P31645 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
AURKA O14965 1/20 0.35
PARP1 P09874 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14738672 0.86 CDK9 (0.41) RHEBPDK2ALDH1A1KDM4ECYP1A2
SCHEMBL14738750 0.85 RHEB (0.39) RHEBPDK2HSD11B1ALDH1A1KDM4E
SCHEMBL14738748 0.85 RHEB (0.39) RHEBPDK2HSD11B1ALDH1A1KDM4E
SCHEMBL7711798 0.85 RHEB (0.39) RHEBPDK2HSD11B1ALDH1A1KDM4E
SCHEMBL14738973 0.83 PDK2 (0.37) RHEBPDK2HSD11B1ALDH1A1KDM4E
SCHEMBL7712729 0.83 PDK2 (0.37) RHEBPDK2HSD11B1ALDH1A1KDM4E
SCHEMBL14739631 0.83 PDK2 (0.37) RHEBPDK2HSD11B1ALDH1A1KDM4E
SCHEMBL14739552 0.81 MAPK11 (0.48) HSD11B1SLC6A4PTGDR2
SCHEMBL7707688 0.80 HSD11B1 (0.47) HSD11B1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7707692 0.78 CCNT1 (0.49) HSD11B1ALDH1A1SLC6A4PTGDR2

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
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
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 RHEB 2785/4885DDB1 4057/4885CRBN 4481/4885

“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.