SCHEMBL2959205

SCHEMBL2959205

CC1(N2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 18/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
HSD11B1 P28845 1/20 0.46
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL5103723 0.82 CYP19A1 (0.56) TRPV4TRPM8CYP3A4KCNH2CYP19A1
SCHEMBL2953590 0.80 EPHX2 (0.47) TRPV4
SCHEMBL2963400 0.80 ABL1 (0.52) TRPV4HSD11B1
SCHEMBL2957007 0.80 GAA (0.56) HSD11B1CYP3A4
SCHEMBL12424482 0.79 TSHR (0.56) TRPV4HSD11B1CYP3A4KCNH2CYP19A1
SCHEMBL3333148 0.79 TSHR (0.50) TRPV4TRPM8CYP3A4KCNH2CYP19A1
SCHEMBL2956787 0.76 CCR1 (0.65) CYP3A4
SCHEMBL12384634 0.76 TRPV4 (0.49) TRPV4TRPM8HSD11B1CYP3A4KCNH2
SCHEMBL20003510 0.75 TRPV4 (0.61) TRPV4TRPM8
SCHEMBL20003513 0.75 TRPV4 (0.61) TRPV4TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 TRPV4 4867/4885TRPM8 4847/4885HSD11B1 7/4885

“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.