SCHEMBL1105912

SCHEMBL1105912

C[C@@H](NCC1CN(Cc2ccccc2C(F)(F)F)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
TACR1 P25103 2/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 1/20 0.37
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
ADRB1 P08588 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
GLRA1 P23415 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL1105935 0.93 CASR (0.42) CASRL3MBTL1KDM4EALDH1A1ATM
SCHEMBL1105970 0.90 ACHE (0.46) CASRACHE
SCHEMBL1105883 0.89 CASR (0.42) CASRATMACHE
SCHEMBL1105913 0.87 DRD4 (0.43) CASRALDH1A1ATMACHE
SCHEMBL1105908 0.87 CASR (0.42) CASRACHE
SCHEMBL1106032 0.85 CASR (0.45) CASRHTT
SCHEMBL1105909 0.85 MEN1 (0.45) CASRL3MBTL1KDM4EALDH1A1TACR1
SCHEMBL1106064 0.84 CASR (0.49) CASRALDH1A1
SCHEMBL1105965 0.83 CASR (0.42) CASRACHESLC6A4SLC6A3
SCHEMBL1106044 0.83 ACHE (0.46) CASRACHE

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 1/4885L3MBTL1 2226/4885KDM4E 2417/4885

“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.