SCHEMBL1095974

SCHEMBL1095974

C[C@H](c1cccc2ccccc12)N(CC1CNCCC1c1cccc(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.39
REN P00797 2/20 0.36
AKT1 P31749 4/20 0.36
RPS6KB1 P23443 1/20 0.35
SSTR4 P31391 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL1097046 0.94 CCR5 (0.37) CCR5RENAKT1RPS6KB1SSTR4
SCHEMBL1096262 0.92 REN (0.37) RENSSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL3576110 0.88 CCR5 (0.38) CCR5AKT1RPS6KB1SSTR4SLC6A2
SCHEMBL1096491 0.87 REN (0.36) RENSSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL1095799 0.85 MAPT (0.38) RENSSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL16274994 0.84 REN (0.40) RENSSTR4
SCHEMBL1095976 0.82 CCR5 (0.39) CCR5AKT1RPS6KB1
SCHEMBL1095954 0.82 SSTR4 (0.35) RENSSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL3570815 0.81 RPS6KB1 (0.38) CCR5AKT1RPS6KB1SSTR4SLC6A2
SCHEMBL1105750 0.81 CCR5 (0.40) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 CCR5 542/4885REN 20/4885AKT1 3021/4885

“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.