SCHEMBL14739631

SCHEMBL14739631

OC[C@H]1CC[C@H](c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
SLC6A4 P31645 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
RHEB Q15382 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD11B1 P28845 2/20 0.35
KDM4E B2RXH2 1/20 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
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAMPT P43490 1/20 0.33
IDO1 P14902 1/20 0.32
MAPT P10636 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
SCHEMBL7712729 1.00 PDK2 (0.37) PDK2SLC6A4PTGDR2RHEBALDH1A1
SCHEMBL14738973 1.00 PDK2 (0.37) PDK2SLC6A4PTGDR2RHEBALDH1A1
SCHEMBL14738748 0.88 RHEB (0.39) PDK2SLC6A4PTGDR2RHEBALDH1A1
SCHEMBL7711798 0.88 RHEB (0.39) PDK2SLC6A4PTGDR2RHEBALDH1A1
SCHEMBL14738750 0.88 RHEB (0.39) PDK2SLC6A4PTGDR2RHEBALDH1A1
SCHEMBL14738672 0.87 CDK9 (0.41) PDK2SLC6A4RHEBALDH1A1KDM4E
SCHEMBL7713818 0.83 RHEB (0.37) PDK2SLC6A4PTGDR2RHEBALDH1A1
SCHEMBL14739552 0.81 MAPK11 (0.48) SLC6A4PTGDR2HSD11B1
SCHEMBL7712303 0.79 MAPK11 (0.47) SLC6A4PTGDR2HSD11B1CYP3A4DRD2
SCHEMBL7707692 0.79 CCNT1 (0.49) SLC6A4PTGDR2ALDH1A1HSD11B1

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 2 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 claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US 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 PDK2 2332/4885SLC6A4 264/4885PTGDR2 168/4885

“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.