SCHEMBL14739637

SCHEMBL14739637

Cn1c(C2CCC(O)CC2)c(Sc2ccc(Cl)cc2)c2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TBXA2R P21731 6/20 0.36
PTGDR Q13258 5/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 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
TNKS O95271 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 1/20 0.34
HSD11B1 P28845 1/20 0.34
AKR1B1 P15121 1/20 0.33
FEN1 P39748 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL14739634 1.00 PTGDR2 (0.39) PTGDR2SLC6A4KDM4ETBXA2RPTGDR
SCHEMBL7711798 0.73 RHEB (0.39) PTGDR2SLC6A4KDM4EALDH1A1CYP1A2
SCHEMBL14738748 0.73 RHEB (0.39) PTGDR2SLC6A4KDM4EALDH1A1CYP1A2
SCHEMBL14738750 0.73 RHEB (0.39) PTGDR2SLC6A4KDM4EALDH1A1CYP1A2
SCHEMBL830491 0.67 TNKS (0.47) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14738358 0.67 FAAH (0.45) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL14739233 0.66 KDM4E (0.35) PTGDR2SLC6A4KDM4ELMNAALDH1A1
SCHEMBL29856265 0.66 SLC22A12 (0.47) KDM4ELMNAALDH1A1CYP3A4CYP2C9
SCHEMBL7713894 0.65 DRD4 (0.44) LMNACYP1A2CYP3A4HTR6
SCHEMBL14738737 0.65 LMNA (0.37) PTGDR2SLC6A4KDM4ELMNAALDH1A1

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 1 patent. 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

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 PTGDR2 168/4885SLC6A4 264/4885KDM4E 307/4885

“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.