SCHEMBL12124652

SCHEMBL12124652

CB(O)NC1CN(C(=O)C#Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
GRM5 P41594 5/20 0.40
NPSR1 Q6W5P4 1/20 0.39
VCP P55072 1/20 0.36
AGTR2 P50052 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL12124653 0.75 AR (0.50) ARGRM5NPSR1VCPAGTR2
SCHEMBL19823672 0.70 AR (0.61) ARGRM5NPSR1NPC1
SCHEMBL1657048 0.69 AR (0.50) ARGRM5NPSR1AGTR2
SCHEMBL4118601 0.68 AR (0.52) ARGRM5NPSR1VCPMEN1
SCHEMBL2474223 0.68 AR (0.64) ARGRM5NPSR1VCPMEN1
SCHEMBL24416093 0.68 AR (0.60) ARGRM5NPSR1MEN1NPC1
SCHEMBL2342238 0.66 AR (0.57) ARGRM5NPSR1SIGMAR1POLB
SCHEMBL17954204 0.65 LMNA (0.62) ARGRM5SIGMAR1RAB9A
Hydrochloric Acid SCHEMBL22031493 0.65 AR (0.56) ARGRM5NPSR1SIGMAR1POLB
SCHEMBL5940654 0.64 AR (0.61) ARGRM5NPC1RAB9A

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-8058292-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-11-15 US disclosed
US-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-10-07 US disclosed
US-7767699-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2010-08-03 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-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRNA10, ACHE, SNCA AR 3030/4885GRM5 336/4885NPSR1 154/4885

“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.