SCHEMBL1096491

SCHEMBL1096491

C[C@H](c1cccc2ccccc12)N(CC1CNCCC1c1ccccc1F)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.36
SSTR4 P31391 4/20 0.35
MBTPS1 Q14703 1/20 0.35
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 4/20 0.35
C5AR1 P21730 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 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
SCHEMBL1095954 0.93 SSTR4 (0.35) RENSSTR4MBTPS1SLC6A2SLC6A4
SCHEMBL1096262 0.88 REN (0.37) RENSSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL3576277 0.88 SSTR4 (0.38) RENSSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL1095974 0.87 CCR5 (0.39) RENSSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL1095799 0.83 MAPT (0.38) RENSSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL1097046 0.82 CCR5 (0.37) RENSSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL1096492 0.82 SSTR4 (0.33) RENSSTR4MBTPS1SLC6A2SLC6A4
SCHEMBL1096038 0.82 C5AR1 (0.35) C5AR1
SCHEMBL16274994 0.82 REN (0.40) RENSSTR4
SCHEMBL3570472 0.81 SSTR4 (0.38) SSTR4SLC6A2SLC6A4SLC6A3

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 REN 20/4885SSTR4 611/4885MBTPS1 313/4885

“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.