SCHEMBL14738737

SCHEMBL14738737

Cn1cccc2c(Sc3ccc(Cl)cc3)c([C@H]3CC[C@H](O)CC3)nc1-2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
PTGDR2 Q9Y5Y4 8/20 0.35
AKR1B1 P15121 2/20 0.33
TP53 P04637 2/20 0.33
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
FAAH O00519 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL14738738 1.00 LMNA (0.37) LMNAHTR1ADRD2DRD4PTGDR2
SCHEMBL14738909 0.87 PTGDR2 (0.39) LMNAHTR1ADRD2DRD4PTGDR2
SCHEMBL14753487 0.85 FAAH (0.35) LMNACNR1FAAHALDH1A1
SCHEMBL14739273 0.85 FAAH (0.35) LMNACNR1FAAHALDH1A1
SCHEMBL7716091 0.85 FAAH (0.35) LMNACNR1FAAHALDH1A1
SCHEMBL14739777 0.85 FAAH (0.35) LMNACNR1FAAHALDH1A1
SCHEMBL7711534 0.84 P2RX3 (0.38) LMNAHTR1ADRD2DRD4PTGDR2
SCHEMBL7713646 0.80 CNR1 (0.50) LMNACNR1CNR2
SCHEMBL7713726 0.76 FAAH (0.47) LMNAHTR1ADRD2DRD4PTGDR2
SCHEMBL14739457 0.69 TP53 (0.35) HTR1ADRD2DRD4PTGDR2AKR1B1

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 claimed
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

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 LMNA 3097/4885HTR1A 59/4885DRD2 1121/4885

“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.