SCHEMBL4131735

SCHEMBL4131735

Cc1ccnc(C)c1C(=O)N1CCC(N2CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C2)C(C)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.62
KCNH2 Q12809 4/20 0.62
OPRM1 P35372 2/20 0.43

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
SCHEMBL13848566 1.00 CCR5 (0.62) CCR5KCNH2OPRM1
SCHEMBL4123919 0.82 CCR5 (0.81) CCR5KCNH2OPRM1
SCHEMBL4123915 0.82 CCR5 (0.81) CCR5KCNH2OPRM1
SCHEMBL4208078 0.77 CCR5 (0.65) CCR5KCNH2
SCHEMBL4189593 0.77 CCR5 (0.66) CCR5KCNH2OPRM1
SCHEMBL4203682 0.75 CCR5 (0.64) CCR5KCNH2OPRM1
SCHEMBL4191796 0.74 CCR5 (0.75) CCR5KCNH2
SCHEMBL13853328 0.72 CCR5 (0.56) CCR5KCNH2OPRM1
SCHEMBL4203508 0.71 CCR5 (0.69) CCR5KCNH2
SCHEMBL13853347 0.70 CCR5 (0.69) CCR5KCNH2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124636-A1 CHEMICAL COMPOUNDS PFIZER INC. 2009-05-14 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-20090124636-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CX3CR1 CCR5 1/4885KCNH2 810/4885OPRM1 29/4885

“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.