SCHEMBL4872137

SCHEMBL4872137

COc1cccc(C2(C#N)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.70
KMT2A Q03164 1/20 0.67
SIGMAR1 Q99720 4/20 0.60
OPRL1 P41146 3/20 0.60
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
KCNH2 Q12809 1/20 0.50
OPRD1 P41143 1/20 0.48

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
Hydrochloric Acid SCHEMBL8355555 0.99 OPRM1 (0.68) OPRM1KMT2ASIGMAR1OPRL1ALDH1A1
SCHEMBL5480849 0.93 OPRM1 (0.60) OPRM1KMT2ASIGMAR1OPRL1ALDH1A1
SCHEMBL5480842 0.90 KMT2A (0.57) OPRM1KMT2ASIGMAR1OPRL1ALDH1A1
SCHEMBL5478395 0.87 KMT2A (0.55) OPRM1KMT2ASIGMAR1OPRL1ALDH1A1
SCHEMBL5469271 0.87 KMT2A (0.55) OPRM1KMT2ASIGMAR1OPRL1ALDH1A1
SCHEMBL5469268 0.87 KMT2A (0.55) OPRM1KMT2ASIGMAR1OPRL1ALDH1A1
SCHEMBL3600517 0.86 OPRM1 (0.75) OPRM1KMT2ASIGMAR1OPRL1OPRD1
SCHEMBL5475207 0.86 KMT2A (0.54) OPRM1KMT2ASIGMAR1OPRL1
SCHEMBL5475211 0.86 KMT2A (0.54) OPRM1KMT2ASIGMAR1OPRL1
Hydrochloric Acid SCHEMBL3610068 0.85 OPRM1 (0.73) OPRM1KMT2ASIGMAR1OPRL1OPRD1

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
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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 (2 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 OPRM1 1290/4885KMT2A 1132/4885SIGMAR1 298/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 OPRM1 211/4885KMT2A 1301/4885SIGMAR1 55/4885

“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.