SCHEMBL1105796

SCHEMBL1105796

CCOC(=O)C1=C(c2ccccc2F)CN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
ADORA1 P30542 1/20 0.50
CHRM5 P08912 6/20 0.48
CHRM1 P11229 6/20 0.48
CHRM2 P08172 5/20 0.48
CHRM4 P08173 5/20 0.48
CHRM3 P20309 5/20 0.48
CASP3 P42574 1/20 0.44
NPC1 O15118 1/20 0.44
TNF P01375 1/20 0.44
RAB9A P51151 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
MAPK1 P28482 2/20 0.43
PRMT1 Q99873 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL17474486 0.91 CHRM5 (0.56) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL18971918 0.85 MEN1 (0.47) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL1097364 0.85 CHRM5 (0.62) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL5005351 0.85 MEN1 (0.48) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL1969971 0.85 CHRM5 (0.54) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL3003772 0.84 CHRM5 (0.48) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL20300559 0.84 MEN1 (0.55) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL1105974 0.82 CHRM5 (0.51) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL3013917 0.81 CHRM5 (0.55) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL20300563 0.81 MEN1 (0.57) MEN1KMT2ALMNAMAPTADORA1

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 2134/4885LMNA 3553/4885

“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.