SCHEMBL1106064

SCHEMBL1106064

C[C@@H](NCC1CN(Cc2ccccc2C(=O)O)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.49
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGER4 P35408 1/20 0.42
CCR5 P51681 1/20 0.41

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
SCHEMBL1105946 0.93 CASR (0.47) CASRCYP2A6CYP2B6ALDH1A1PTGER4
SCHEMBL1105970 0.90 ACHE (0.46) CASR
SCHEMBL1105908 0.89 CASR (0.42) CASR
SCHEMBL1105972 0.87 CASR (0.49) CASR
SCHEMBL1105913 0.87 DRD4 (0.43) CASRALDH1A1
SCHEMBL1105883 0.87 CASR (0.42) CASR
SCHEMBL1105971 0.86 CASR (0.45) CASRALDH1A1
SCHEMBL1105899 0.86 HTT (0.48) CASR
SCHEMBL1106032 0.85 CASR (0.45) CASRCCR5
SCHEMBL1105909 0.85 MEN1 (0.45) CASRALDH1A1

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-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
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP 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 1/4885CYP2A6 494/4885CYP2B6 772/4885

“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.