SCHEMBL1105910

SCHEMBL1105910

C[C@@H](NCC1CN(CCCc2ccccc2)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.45
DRD4 P21917 2/20 0.44
SIGMAR1 Q99720 4/20 0.43
EPHX2 P34913 2/20 0.42
ADRA2C P18825 2/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
CYP2D6 P10635 2/20 0.41
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
ADRB1 P08588 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
GLRA1 P23415 1/20 0.41
AVPR2 P30518 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
SCHEMBL1106034 0.95 CASR (0.46) CASRDRD4EPHX2CYP2D6CCR5
SCHEMBL1106042 0.93 CASR (0.45) CASRDRD4SIGMAR1EPHX2ADRA2C
SCHEMBL1106032 0.89 CASR (0.45) CASRDRD4HTTKDM1ACCR5
SCHEMBL1105869 0.89 CASR (0.47) CASRDRD4SLC6A4DRD3DRD2
SCHEMBL1105930 0.88 CCR5 (0.47) CASRDRD4EPHX2CYP2D6CCR5
SCHEMBL1105880 0.87 CASR (0.45) CASRKDM1A
SCHEMBL1105958 0.86 CASR (0.46) CASRHTT
SCHEMBL1105970 0.85 ACHE (0.46) CASRMEN1TSHRKMT2A
SCHEMBL1106035 0.84 ACKR3 (0.46) CASRDRD4MEN1KMT2A
SCHEMBL1106062 0.84 CASR (0.42) CASRDRD4CYP2D6DRD2HTT

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 1/4885DRD4 1475/4885SIGMAR1 433/4885

“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.