SCHEMBL3576540

SCHEMBL3576540

C[C@H](c1cccc2ccccc12)N(CC1CCN(C(N)=S)CC1c1cccc(F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.39
KCNH2 Q12809 2/20 0.35
MASP2 O00187 1/20 0.35
CTSG P08311 1/20 0.35

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
SCHEMBL1096778 0.89 CCR5 (0.39) CCR5KCNH2
SCHEMBL1096776 0.89 CCR5 (0.39) CCR5KCNH2
SCHEMBL4076516 0.81 CCR5 (0.41) CCR5
SCHEMBL3570815 0.81 RPS6KB1 (0.38) CCR5KCNH2
SCHEMBL1105750 0.79 CCR5 (0.40) CCR5KCNH2
SCHEMBL1095663 0.79 CCR5 (0.40) CCR5KCNH2
SCHEMBL3576110 0.78 CCR5 (0.38) CCR5KCNH2
SCHEMBL4094906 0.76 CCR5 (0.43) CCR5
SCHEMBL1096057 0.76 CCR5 (0.38) CCR5
SCHEMBL1097652 0.75 CCR5 (0.38) CCR5KCNH2

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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 CCR5 542/4885KCNH2 1238/4885MASP2 3798/4885

“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.