SCHEMBL2362900

SCHEMBL2362900

CN1CCC[C@@H](NC(=O)CC2CCN(c3ncc(C#N)cc3NC(=O)c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.46
KIF11 P52732 1/20 0.45
PAK1 Q13153 1/20 0.45
RORC P51449 4/20 0.44
GPR6 P46095 5/20 0.42
RPS6KB1 P23443 1/20 0.41
BTK Q06187 1/20 0.41
KCNH2 Q12809 2/20 0.41
PHGDH O43175 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
SCHEMBL2271430 0.90 CXCR3 (0.48) GPR6
SCHEMBL2273727 0.88 KIF11 (0.44) CCR2KIF11PAK1KCNH2PHGDH
SCHEMBL2267997 0.88 KIF11 (0.44) CCR2KIF11PAK1KCNH2PHGDH
SCHEMBL2275026 0.88 KIF11 (0.44) CCR2KIF11PAK1KCNH2PHGDH
SCHEMBL2271014 0.84 CXCR3 (0.55) GPR6BTK
SCHEMBL2275479 0.83 PAK1 (0.46) CCR2PAK1KCNH2
SCHEMBL2271376 0.83 PAK1 (0.46) CCR2PAK1KCNH2
SCHEMBL2270608 0.81 CXCR3 (0.57) CCR2KIF11BTKKCNH2
SCHEMBL2268315 0.81 CXCR3 (0.57) CCR2KIF11BTKKCNH2
SCHEMBL2222953 0.81 RORC (0.43) PAK1RORCGPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CCR2 13/4885KIF11 4183/4885PAK1 1014/4885

“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.