SCHEMBL1105913

SCHEMBL1105913

C[C@@H](NCC1CN(Cc2ccccc2Cl)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
CASR P41180 8/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
CCR2 P41597 1/20 0.41
CXCR4 P61073 5/20 0.39
ACHE P22303 1/20 0.39
ACKR3 P25106 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 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
SCHEMBL1106043 0.93 DRD4 (0.43) DRD4CASRROCK2ROCK1CCR2
SCHEMBL1105970 0.93 ACHE (0.46) CASRACHE
SCHEMBL1106032 0.90 CASR (0.45) DRD4CASRACKR3
SCHEMBL1105883 0.89 CASR (0.42) CASRACHEATM
SCHEMBL1105908 0.89 CASR (0.42) CASRACHE
SCHEMBL1106035 0.88 ACKR3 (0.46) DRD4CASRROCK2ROCK1CCR2
SCHEMBL1105909 0.88 MEN1 (0.45) CASRCXCR4ACHEALDH1A1
SCHEMBL1105912 0.87 CASR (0.42) CASRACHEALDH1A1ATM
SCHEMBL1106064 0.87 CASR (0.49) CASRALDH1A1
SCHEMBL1106062 0.86 CASR (0.42) DRD4CASRACKR3

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 DRD4 1475/4885CASR 1/4885ROCK2 4415/4885

“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.