SCHEMBL3408699

SCHEMBL3408699

COC(=O)N(C)C1(c2ccncc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.51
CYP2D6 P10635 5/20 0.51
TSHR P16473 4/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 3/20 0.47
CHRM2 P08172 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
OPRL1 P41146 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
SCHEMBL3412279 0.89 CYP3A4 (0.55) CYP3A4CYP2D6TSHRCYP2C19CYP2C9
SCHEMBL3410504 0.88 CHRM2 (0.50) CYP3A4CYP2D6TSHRCYP2C19ALDH1A1
SCHEMBL3410724 0.88 CYP3A4 (0.51) CYP3A4CYP2D6TSHRCYP2C19CYP2C9
SCHEMBL3406087 0.83 CYP3A4 (0.52) CYP3A4CYP2D6TSHRCYP2C19CYP2C9
SCHEMBL4630038 0.80 OPRM1 (0.61) CYP3A4CYP2D6TSHRCYP2C19CYP2C9
SCHEMBL27575883 0.77 OPRL1 (0.54) CYP3A4CYP2D6TSHRALDH1A1CHRM2
SCHEMBL3405949 0.77 POLB (0.57) CYP3A4CYP2D6TSHRCYP2C19CYP2C9
SCHEMBL7305322 0.74 CACNA1G (0.51) CYP2D6TSHRCHRM2KDM4ESIGMAR1
SCHEMBL6544501 0.74 OPRL1 (0.53) CYP3A4CYP2D6TSHRALDH1A1CHRM2
SCHEMBL3410545 0.74 CYP3A4 (0.57) CYP3A4CYP2D6TSHRCYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP3A4 84/4885CYP2D6 48/4885TSHR 3282/4885

“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.