SCHEMBL1105950

SCHEMBL1105950

C[C@@H](NCC1CCN(Cc2ccc(OCC(=O)O)cc2)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
CASR P41180 6/20 0.49
HRH2 P25021 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD4 P21917 1/20 0.41
FAAH O00519 3/20 0.40
ACHE P22303 3/20 0.40
BCHE P06276 1/20 0.40
PPARG P37231 1/20 0.40
ACKR3 P25106 1/20 0.39
DRD2 P14416 1/20 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
SCHEMBL1105920 0.94 CYP2D6 (0.51) CYP2D6CASRHRH2MEN1KMT2A
SCHEMBL1105978 0.88 CASR (0.49) CYP2D6CASRACKR3DRD2
SCHEMBL1105907 0.88 DRD4 (0.46) CASRHRH2MEN1KMT2ADRD4
SCHEMBL1106046 0.87 CASR (0.45) CYP2D6CASRHRH2
SCHEMBL1105976 0.87 CASR (0.42) CASRACHEBCHEACKR3
SCHEMBL1105911 0.86 ACKR3 (0.46) CYP2D6CASRMEN1KMT2ADRD4
SCHEMBL1105953 0.86 CASR (0.42) CYP2D6CASRMEN1KMT2ADRD4
SCHEMBL1106045 0.85 ROCK2 (0.45) CASRACKR3
SCHEMBL1105904 0.85 CASR (0.42) CASRACHEBCHE
SCHEMBL1105981 0.85 ACHE (0.43) CASRKMT2AACHEACKR3

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 CYP2D6 492/4885CASR 1/4885HRH2 532/4885

“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.