SCHEMBL2632888

SCHEMBL2632888

CCN1CCc2c(C#N)cccc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
AR P10275 16/20 0.44
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL10311215 0.87 NOTUM (0.52) NOTUMAR
SCHEMBL2625786 0.77 NOTUM (0.59) NOTUMAR
SCHEMBL12656140 0.77 NOTUM (0.51) NOTUMHRH3
SCHEMBL10311202 0.76 NOTUM (0.51) NOTUMAR
SCHEMBL13228227 0.76 NOTUM (0.53) NOTUMHRH3
SCHEMBL26890101 0.76 DRD2 (0.41) HRH3
SCHEMBL2271564 0.76 HRH3 (0.41) HRH3
SCHEMBL21859836 0.75 DRD2 (0.41) NOTUMHRH3
Bromide SCHEMBL6844504 0.75 HRH3 (0.40) HRH3
SCHEMBL10130560 0.74 NOTUM (0.49) NOTUMAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 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 (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-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 NOTUM 2423/4885AR 3992/4885HRH3 1102/4885
US-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA NOTUM 3757/4885AR 3842/4885HRH3 1170/4885

“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.