SCHEMBL1105909

SCHEMBL1105909

COc1ccccc1CN1CCC(c2ccccc2)C(CN[C@H](C)c2cccc3ccccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CXCR4 P61073 3/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CASR P41180 4/20 0.41
POLB P06746 1/20 0.39
GNAI3 P08754 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
TACR1 P25103 3/20 0.38
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 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
SCHEMBL1105977 0.93 MEN1 (0.45) MEN1KMT2ACXCR4CHRM2CHRM4
SCHEMBL1105970 0.91 ACHE (0.46) MEN1KMT2ACASRACHE
SCHEMBL1105971 0.88 CASR (0.45) CASRKDM4EALDH1A1
SCHEMBL1105913 0.88 DRD4 (0.43) CXCR4CASRACHEALDH1A1
SCHEMBL1105908 0.88 CASR (0.42) CASRBCHEACHEBACE1
SCHEMBL1105883 0.88 CASR (0.42) CASRACHE
SCHEMBL1106032 0.86 CASR (0.45) CASRKDM1AMAOB
SCHEMBL1105967 0.86 DRD4 (0.46) MEN1KMT2ACASRACHEBACE1
SCHEMBL1105912 0.85 CASR (0.42) CHRM1CHRM3CASRHTR2CTACR1
SCHEMBL1106064 0.85 CASR (0.49) CASRALDH1A1

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 MEN1 4104/4885KMT2A 2134/4885CXCR4 925/4885

“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.