SCHEMBL4201992

SCHEMBL4201992

O=C(C1CC1)N(Cc1ccccc1)C1[C@@H]2CC[C@H]1CN(C1CCNCC1)C2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.53
KCNH2 Q12809 3/20 0.48
OPRM1 P35372 4/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.39
CTSD P07339 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.37
CPB1 P15086 1/20 0.37

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
SCHEMBL13853364 1.00 CCR5 (0.53) CCR5KCNH2OPRM1MEN1KMT2A
SCHEMBL4196959 0.81 CCR5 (0.55) CCR5KCNH2OPRM1
SCHEMBL13853363 0.81 CCR5 (0.55) CCR5KCNH2OPRM1
SCHEMBL13853362 0.80 MEN1 (0.52) CCR5KCNH2OPRM1MEN1KMT2A
SCHEMBL4193608 0.80 MEN1 (0.52) CCR5KCNH2OPRM1MEN1KMT2A
SCHEMBL4197879 0.80 OPRM1 (0.53) CCR5OPRM1MEN1KMT2A
SCHEMBL13853360 0.80 OPRM1 (0.53) CCR5OPRM1MEN1KMT2A
SCHEMBL4198203 0.78 OPRM1 (0.62) CCR5KCNH2OPRM1MEN1KMT2A
SCHEMBL4199727 0.77 CCR5 (0.62) CCR5KCNH2OPRM1
SCHEMBL13853329 0.77 CCR5 (0.62) 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-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 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-20090124635-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CCR2 CCR5 1/4885KCNH2 2799/4885OPRM1 60/4885

“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.