SCHEMBL1105977

SCHEMBL1105977

COc1ccccc1CN1CCC(CN[C@H](C)c2cccc3ccccc23)C(c2ccccc2)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
SCHEMBL1105909 0.93 MEN1 (0.45) MEN1KMT2ACXCR4CHRM2CHRM4
SCHEMBL1106044 0.91 ACHE (0.46) MEN1KMT2ACASRACHE
SCHEMBL1106046 0.88 CASR (0.45) CASRKDM4EALDH1A1
SCHEMBL1106067 0.88 CASR (0.42) CASRACHE
SCHEMBL1106043 0.88 DRD4 (0.43) CXCR4CASRACHEALDH1A1
SCHEMBL1105928 0.88 CASR (0.42) CASRBCHEACHEBACE1
SCHEMBL1105907 0.86 DRD4 (0.46) MEN1KMT2ACASRACHEBACE1
SCHEMBL1105946 0.85 CASR (0.47) CASRALDH1A1
SCHEMBL1105935 0.85 CASR (0.42) CHRM1CHRM3CASRHTR2CTACR1
SCHEMBL1106068 0.84 DRD4 (0.47) MEN1KMT2ACASRTACR1KDM1A

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.