SCHEMBL3100770

SCHEMBL3100770

Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC(O)C(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.60
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL13157915 1.00 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL3096749 0.88 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL13157918 0.88 CCR1 (0.58) CCR1CYP2C19KCNH2
SCHEMBL4824445 0.84 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL14566241 0.78 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL14016489 0.78 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL2876592 0.76 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL3105142 0.76 POLB (0.55)
SCHEMBL13158203 0.76 POLB (0.55)
SCHEMBL13157795 0.76 POLB (0.55)

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-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 CCR1 11/4885CYP2C19 2973/4885KCNH2 4153/4885

“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.