SCHEMBL4276599

SCHEMBL4276599

CCC(=O)N1CCC(c2ccccc2)(N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.49
TSHR P16473 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP3A4 P08684 3/20 0.49
OPRM1 P35372 1/20 0.49
ITGB3 P05106 8/20 0.48
ITGA2B P08514 8/20 0.48
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
OPRD1 P41143 1/20 0.45
USP2 O75604 1/20 0.43

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
SCHEMBL4280485 0.82 OPRM1 (0.57) OPRM1OPRD1
SCHEMBL4120390 0.75 ADRB2 (0.53) CYP2C9TSHRCYP2D6CYP3A4OPRM1
SCHEMBL12781874 0.74 MAPT (0.70) SMN1; SMN2ALDH1A1MAPT
SCHEMBL4287232 0.72 SLC6A3 (0.39) CYP2C9TSHRCYP2D6HIF1ASMN1; SMN2
SCHEMBL10760411 0.70 OPRM1 (0.66) OPRM1ALDH1A1OPRD1
SCHEMBL18793811 0.70 OPRM1 (0.66) OPRM1ALDH1A1MAPTOPRD1
SCHEMBL4283594 0.70 SMN1; SMN2 (0.47) TSHRCYP2D6OPRM1SMN1; SMN2
SCHEMBL14438077 0.69 MAPT (0.74) CYP2C9CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL6600563 0.69 MAPT (0.62) CYP2C9TSHRCYP2D6CYP3A4ITGB3
SCHEMBL4273032 0.69 MAPK1 (0.46) CYP2C9CYP2D6OPRM1CYP2C19SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP2C9 19/4885TSHR 3282/4885CYP2D6 48/4885

“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.