SCHEMBL7710329

SCHEMBL7710329

C[C@@H](Cc1[nH]c2ncccc2c1Sc1ccc(Cl)cc1)C(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
RHEB Q15382 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
NAMPT P43490 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7714858 0.86 SLC6A4 (0.37) SLC6A4PTGDR2RHEBALDH1A1KDM4E
SCHEMBL7711540 0.83 SLC6A4 (0.37) SLC6A4PTGDR2RHEBALDH1A1KDM4E
SCHEMBL7707721 0.82 ALDH1A1 (0.41) SLC6A4PTGDR2RHEBALDH1A1KDM4E
SCHEMBL14738981 0.81 RHEB (0.41) SLC6A4PTGDR2RHEBALDH1A1KDM4E
SCHEMBL7705194 0.77 RHEB (0.39) SLC6A4PTGDR2RHEBALDH1A1KDM4E
SCHEMBL7706342 0.76 RHEB (0.38) SLC6A4PTGDR2RHEBALDH1A1KDM4E
SCHEMBL14753496 0.75 RHEB (0.39) SLC6A4PTGDR2RHEBALDH1A1KDM4E
SCHEMBL7708601 0.75 RHEB (0.37) SLC6A4PTGDR2RHEBALDH1A1KDM4E
SCHEMBL7711065 0.75 CDK1 (0.45) SLC6A4PTGDR2RHEBALDH1A1KDM4E
SCHEMBL7707749 0.74 ALDH1A1 (0.42) 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 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 SLC6A4 264/4885PTGDR2 168/4885RHEB 2785/4885

“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.