SCHEMBL1105968

SCHEMBL1105968

C[C@@H](NCC1CN(Cc2cccc(Cl)c2)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.46
DRD4 P21917 3/20 0.44
CCR5 P51681 3/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
CCR2 P41597 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CASR P41180 6/20 0.41
CXCR4 P61073 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 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
SCHEMBL1106032 0.94 CASR (0.45) ACKR3DRD4CCR5HTTCASR
SCHEMBL1105917 0.93 CCR5 (0.46) ACKR3DRD4CCR5KDM4EALDH1A1
SCHEMBL1106035 0.92 ACKR3 (0.46) ACKR3DRD4ROCK2ROCK1CCR2
SCHEMBL1105888 0.90 CCR5 (0.44) ACKR3DRD4CCR5SIGMAR1CASR
SCHEMBL1106057 0.90 DRD2 (0.42) ACKR3SIGMAR1CASRDRD2
SCHEMBL1105896 0.89 ACHE (0.43) ACKR3SIGMAR1CASR
SCHEMBL1106062 0.88 CASR (0.42) ACKR3DRD4CCR5HTTCASR
SCHEMBL1105889 0.88 DRD4 (0.47) ACKR3DRD4SIGMAR1CASRDRD2
SCHEMBL1105965 0.88 CASR (0.42) CCR5ROCK2ROCK1CCR2SIGMAR1
SCHEMBL1105900 0.88 CASR (0.42) ACKR3CCR5HTTROCK2ROCK1

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 ACKR3 355/4885DRD4 1475/4885CCR5 542/4885

“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.