SCHEMBL1880010

SCHEMBL1880010

CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(C#N)cc3c2ccn3-c2ccc(F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.44
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.40
ROCK1 Q13464 2/20 0.40
RORC P51449 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1874628 0.89 CCR1 (0.57) CCR1KDM4EHTTLMNAKCNH2
SCHEMBL1135634 0.88 CCR1 (0.57) CCR1KCNH2RORC
SCHEMBL12670784 0.88 CCR1 (0.46) CCR1KCNH2ROCK1RORC
SCHEMBL1875936 0.85 KDM4E (0.41) CCR1KDM4EHTTLMNAKCNH2
SCHEMBL1886533 0.80 CCR1 (0.58) CCR1KDM4EHTTLMNAALDH1A1
SCHEMBL1135506 0.76 CCR1 (0.73) CCR1KCNH2
SCHEMBL12670781 0.76 CCR1 (0.60) CCR1KDM4EHTTKCNH2ROCK1
SCHEMBL1877178 0.74 CCR1 (0.43) CCR1LMNA
SCHEMBL15926546 0.74 CCR1 (0.40) CCR1KDM4EHTTLMNARORC
SCHEMBL1135652 0.74 CCR1 (0.78) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 WO disclosed
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 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-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 CCR1 1/4885KDM4E 4189/4885HTT 4199/4885

“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.