SCHEMBL1105955

SCHEMBL1105955

C[C@@H](NCC1CCN(C(=O)C2CN(Cc3ccccc3)CC2C(=O)O)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.41
MC4R P32245 3/20 0.40
ACKR3 P25106 1/20 0.39
CCR5 P51681 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1105926 0.94 CASR (0.41) CASRMC4RACKR3CYP2D6
SCHEMBL1105874 0.88 CYP2D6 (0.44) CASRCYP2D6
SCHEMBL1105879 0.88 CASR (0.43) CASRCCR5CYP2D6
SCHEMBL1106053 0.84 CYP2D6 (0.46) CASRCYP2D6
SCHEMBL1106024 0.84 CYP2D6 (0.46) CASRCYP2D6
SCHEMBL1106054 0.84 CYP2D6 (0.47) CASRCYP2D6
SCHEMBL1106026 0.84 CYP2D6 (0.47) CASRCYP2D6
SCHEMBL1105931 0.83 CYP2D6 (0.49) CASRCCR5CYP2D6
SCHEMBL1105978 0.82 CASR (0.49) CASRACKR3CYP2D6
SCHEMBL1105867 0.81 CASR (0.47) CASRCYP2D6

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 1/4885MC4R 1907/4885ACKR3 355/4885

“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.