SCHEMBL3576110

SCHEMBL3576110

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.38
RPS6KB1 P23443 1/20 0.38
SSTR4 P31391 3/20 0.37
AKT1 P31749 5/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 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
SCHEMBL3570815 0.93 RPS6KB1 (0.38) CCR5RPS6KB1SSTR4AKT1SLC6A2
SCHEMBL4067653 0.92 SSTR4 (0.41) SSTR4SLC6A2SLC6A3KCNH2
SCHEMBL1095974 0.88 CCR5 (0.39) CCR5RPS6KB1SSTR4AKT1SLC6A2
SCHEMBL1095976 0.88 CCR5 (0.39) CCR5RPS6KB1AKT1
SCHEMBL3576277 0.85 SSTR4 (0.38) SSTR4SLC6A2SLC6A3KCNH2
SCHEMBL3579316 0.84 SSTR4 (0.41) SSTR4SLC6A2SLC6A3KCNH2
SCHEMBL4094874 0.83 SSTR4 (0.44) CCR5SSTR4
SCHEMBL4094876 0.83 SSTR4 (0.44) CCR5SSTR4
SCHEMBL4106036 0.83 SSTR4 (0.44) CCR5SSTR4
SCHEMBL4093834 0.83 SSTR4 (0.44) CCR5SSTR4

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 542/4885RPS6KB1 3308/4885SSTR4 611/4885

“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.