SCHEMBL7711534

SCHEMBL7711534

COC(=O)N1CCC(c2nc3n(C)cccc-3c2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MCHR1 Q99705 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1B1 P15121 1/20 0.34
MGLL Q99685 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL14738909 0.90 PTGDR2 (0.39) LMNATP53PTGDR2AKR1B1MGLL
SCHEMBL14738737 0.84 LMNA (0.37) FAAHLMNATP53PTGDR2ALDH1A1
SCHEMBL14738738 0.84 LMNA (0.37) FAAHLMNATP53PTGDR2ALDH1A1
SCHEMBL7713646 0.74 CNR1 (0.50) LMNA
SCHEMBL14739777 0.71 FAAH (0.35) FAAHLMNAALDH1A1MCHR1MAPT
SCHEMBL7716091 0.71 FAAH (0.35) FAAHLMNAALDH1A1MCHR1MAPT
SCHEMBL7707688 0.69 HSD11B1 (0.47) FAAHTP53PTGDR2ALDH1A1MEN1
SCHEMBL7713726 0.67 FAAH (0.47) FAAHLMNATP53PTGDR2ALDH1A1
SCHEMBL14753488 0.65 NPC1 (0.49) LMNATP53ALDH1A1MAPTHTT
SCHEMBL10395254 0.64 RBP4 (0.48) P2RX3P2RX2LMNAMAPT

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 P2RX3 548/4885P2RX2 686/4885FAAH 1/4885

“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.