SCHEMBL1095801

SCHEMBL1095801

C[C@H](c1cccc2ccccc12)N(C(=O)O)C(C1CCNCC1c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.39
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
TACR1 P25103 3/20 0.35
CYP2D6 P10635 2/20 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
SCHEMBL1096263 0.92 SSTR4 (0.39) SSTR4MAPTPKMSLC6A2SLC6A4
SCHEMBL16274995 0.91 SSTR4 (0.42) SSTR4CYP2D6
SCHEMBL1096141 0.79 TRPM8 (0.43) MAPTPKM
SCHEMBL1097254 0.78 ESR1 (0.39) TACR1CYP2D6
SCHEMBL4067653 0.77 SSTR4 (0.41) SSTR4MAPTPKMSLC6A2SLC6A4
SCHEMBL3579316 0.77 SSTR4 (0.41) SSTR4MAPTPKMSLC6A2SLC6A4
SCHEMBL1095799 0.74 MAPT (0.38) SSTR4MAPTPKMSLC6A2SLC6A4
SCHEMBL1096262 0.74 REN (0.37) SSTR4MAPTPKMSLC6A2SLC6A4
SCHEMBL4094874 0.74 SSTR4 (0.44) SSTR4CYP2D6
SCHEMBL4106036 0.74 SSTR4 (0.44) SSTR4CYP2D6

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-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

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 SSTR4 611/4885MAPT 4561/4885PKM 3074/4885

“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.