SCHEMBL1106068

SCHEMBL1106068

COc1cccc(CN2CCC(CN[C@H](C)c3cccc4ccccc34)C(c3ccccc3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.47
SIGMAR1 Q99720 2/20 0.43
MCHR1 Q99705 1/20 0.41
DRD2 P14416 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2B P41595 1/20 0.41
CASR P41180 3/20 0.40
ACKR3 P25106 1/20 0.40
KDM1A O60341 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TACR1 P25103 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL1105889 0.93 DRD4 (0.47) DRD4SIGMAR1MCHR1DRD2HTR1A
SCHEMBL1105907 0.91 DRD4 (0.46) DRD4SIGMAR1DRD2CASRMEN1
SCHEMBL1105981 0.90 ACHE (0.43) SIGMAR1MCHR1CASRACKR3KDM1A
SCHEMBL1105917 0.88 CCR5 (0.46) DRD4SIGMAR1DRD2CASRACKR3
SCHEMBL1105932 0.88 DRD2 (0.42) SIGMAR1DRD2CASRACKR3
SCHEMBL1105911 0.85 ACKR3 (0.46) DRD4CASRACKR3MEN1KMT2A
SCHEMBL1105953 0.85 CASR (0.42) DRD4MCHR1DRD2CASRACKR3
SCHEMBL1105977 0.84 MEN1 (0.45) CASRKDM1AMAOAMAOBTACR1
SCHEMBL1105967 0.84 DRD4 (0.46) DRD4SIGMAR1DRD2CASRMEN1
SCHEMBL1105904 0.84 CASR (0.42) SIGMAR1CASR

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 1475/4885SIGMAR1 433/4885MCHR1 1154/4885

“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.