SCHEMBL8512758

SCHEMBL8512758

CS(=O)(=O)c1cccc(CN)c1.O=C(O)c1cncc2c1cnn2-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.60
KCNH2 Q12809 1/20 0.43
CYP3A4 P08684 1/20 0.41

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
SCHEMBL568300 0.84 CCR1 (0.84) CCR1KCNH2
SCHEMBL568160 0.79 NR3C1 (0.43) CCR1KCNH2
SCHEMBL567592 0.75 CCR1 (1.00) CCR1KCNH2
SCHEMBL567943 0.74 CCR1 (0.71) CCR1KCNH2CYP3A4
SCHEMBL3465108 0.71 POLB (0.50) CCR1
SCHEMBL568598 0.70 CCR1 (0.61) CCR1KCNH2CYP3A4
SCHEMBL568191 0.70 CCR1 (0.67) CCR1KCNH2CYP3A4
SCHEMBL567143 0.69 CCR1 (0.83) CCR1KCNH2CYP3A4
SCHEMBL567998 0.68 CCR1 (0.55) CCR1KCNH2CYP3A4
SCHEMBL1135721 0.67 CCR1 (1.00) CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 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-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCR1 1/4885KCNH2 4067/4885CYP3A4 1429/4885

“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.