SCHEMBL1105908

SCHEMBL1105908

C[C@@H](NCC1CN(Cc2ccccc2O)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.42
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
BACE1 P56817 1/20 0.39
TSHR P16473 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
SCHEMBL1105928 0.93 CASR (0.42) CASRACHEBCHEBACE1TSHR
SCHEMBL1105970 0.93 ACHE (0.46) CASRACHETSHR
SCHEMBL1105883 0.89 CASR (0.42) CASRACHETSHR
SCHEMBL1105913 0.89 DRD4 (0.43) CASRACHE
SCHEMBL1106064 0.89 CASR (0.49) CASR
SCHEMBL1106032 0.88 CASR (0.45) CASR
SCHEMBL1105909 0.88 MEN1 (0.45) CASRACHEBCHEBACE1
SCHEMBL1105903 0.87 CASR (0.42) CASRACHEBCHEBACE1
SCHEMBL1105912 0.87 CASR (0.42) CASRACHE
SCHEMBL1106057 0.86 DRD2 (0.42) CASR

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 1/4885ACHE 4094/4885BCHE 3797/4885

“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.