SCHEMBL2960459

SCHEMBL2960459

O=C1CCCCN1C1CCN(S(=O)(=O)c2ccccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.50
CHRM2 P08172 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
CCR1 P32246 7/20 0.49
FAAH O00519 2/20 0.49
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL2956822 0.82 CCR1 (0.65) CHRM4CCR1FAAH
SCHEMBL2963267 0.81 KDM4E (0.67) CHRM4CCR1TSHRCYP3A4CYP2C9
SCHEMBL4555453 0.76 TSHR (0.78) CHRM4TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL31684034 0.76 TSHR (0.78) CHRM4TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL10877910 0.76 CHRM4 (0.53) CHRM4FAAHTSHRCYP3A4CYP2C9
SCHEMBL10723724 0.74 CHRM4 (0.64) CHRM4FAAHTSHRCYP3A4CYP2C9
SCHEMBL5247959 0.74 DPP4 (0.44)
SCHEMBL2962880 0.73 ALDH1A1 (0.64) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL2962711 0.73 CCR1 (0.60) CCR1FAAH
SCHEMBL2953459 0.73 CCR1 (0.60) CHRM4CCR1FAAH

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
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
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 CHRM4 4346/4885CHRM2 4438/4885CHRM5 4201/4885

“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.