SCHEMBL1105828

SCHEMBL1105828

C[C@@H](NCC1CCN(C(=O)OCC(=O)O)CC1c1cccc(F)c1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 15/20 0.43
CYP2D6 P10635 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CCR5 P51681 2/20 0.39

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
SCHEMBL1105984 0.87 CASR (0.42) CASRCYP2D6
SCHEMBL1105791 0.87 CASR (0.44) CASRCYP2D6PPARGPPARA
SCHEMBL1105847 0.87 CASR (0.46) CASRCYP2D6
Hydrochloric Acid SCHEMBL1096509 0.87 CASR (0.44) CASRCYP2D6
SCHEMBL1105782 0.86 CASR (0.42) CASRCYP2D6
SCHEMBL1105780 0.86 CASR (0.42) CASRCYP2D6
SCHEMBL1105829 0.86 CASR (0.44) CASRCYP2D6PPARGPPARA
SCHEMBL1096982 0.85 CASR (0.41) CASR
SCHEMBL1105798 0.85 CASR (0.41) CASRCYP2D6
Hydrochloric Acid SCHEMBL1094710 0.85 CASR (0.46) CASRCYP2D6PPARGPPARA

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 4 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-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 CASR 1/4885CYP2D6 492/4885PPARG 770/4885

“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.