SCHEMBL1105920

SCHEMBL1105920

C[C@@H](NCC1CN(Cc2ccc(OCC(=O)O)cc2)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
CASR P41180 7/20 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
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACKR3 P25106 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
SCHEMBL1105950 0.94 CYP2D6 (0.51) CYP2D6CASRHRH2MEN1KMT2A
SCHEMBL1105967 0.88 DRD4 (0.46) CASRMEN1KMT2ADRD4ACHE
SCHEMBL1105972 0.88 CASR (0.49) CYP2D6CASRACKR3
SCHEMBL1106032 0.87 CASR (0.45) CASRDRD4ACKR3
SCHEMBL1105971 0.87 CASR (0.45) CYP2D6CASRHRH2
SCHEMBL1105903 0.87 CASR (0.42) CASRACHEBCHEACKR3
SCHEMBL1106035 0.86 ACKR3 (0.46) CASRMEN1KMT2ADRD4ACHE
SCHEMBL1106062 0.86 CASR (0.42) CYP2D6CASRMEN1KMT2ADRD4
SCHEMBL1106059 0.85 ROCK2 (0.45) CASRACKR3
SCHEMBL1105965 0.85 CASR (0.42) CASRACHEBCHE

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.