SCHEMBL7713646

SCHEMBL7713646

Cn1cccc2c(Sc3ccc(Cl)cc3)c(C(=O)NC3CCC(O)CC3)nc1-2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.50
CNR2 P34972 4/20 0.50
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
BRD4 O60885 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL14738737 0.80 LMNA (0.37) CNR1CNR2LMNA
SCHEMBL14738738 0.80 LMNA (0.37) CNR1CNR2LMNA
SCHEMBL14738909 0.74 PTGDR2 (0.39) LMNA
SCHEMBL7711534 0.74 P2RX3 (0.38) LMNA
SCHEMBL14753488 0.73 NPC1 (0.49) NPC1RAB9ALMNA
SCHEMBL7713726 0.72 FAAH (0.47) LMNA
SCHEMBL7711943 0.71 ROCK1 (0.53) NPC1RAB9A
SCHEMBL14739875 0.67 NUDT1 (0.41) NPC1RAB9APDE4BPDE4DBRD4
SCHEMBL14753478 0.67 NUDT1 (0.41) NPC1RAB9APDE4BPDE4DBRD4
SCHEMBL7716091 0.67 FAAH (0.35) CNR1PDE4APDE4BPDE4CPDE4D

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
CN-102917707-A Azaindole derivatives useful as modulators of FAAH MERCK SHARP & DOHME 2013-02-06 CN 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
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 CNR1 17/4885CNR2 10/4885NPC1 1170/4885

“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.