SCHEMBL2486885

SCHEMBL2486885

CN(C)Cc1cccc(-c2ccc(CO)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.58
HRH3 Q9Y5N1 1/20 0.53
PRKCI P41743 1/20 0.50
HTR7 P34969 1/20 0.49
AOC3 Q16853 9/20 0.48
MGLL Q99685 2/20 0.45
NOS1 P29475 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL19497012 0.84 TAAR1 (0.53) TAAR1HRH3HTR7AOC3NOS1
SCHEMBL29864624 0.83 TAAR1 (0.67) TAAR1HRH3HTR7AOC3NOS1
SCHEMBL3464184 0.83 TAAR1 (0.67) TAAR1HRH3HTR7AOC3NOS1
SCHEMBL12960335 0.83 HRH3 (0.77) TAAR1HRH3NOS1ALDH1A1TSHR
SCHEMBL16578698 0.83 PRKCI (0.68) PRKCIMGLLHSD17B1HSD17B2TSHR
SCHEMBL2646040 0.81 ALDH1A1 (0.54) HRH3HTR7NOS1ALDH1A1TSHR
SCHEMBL19496889 0.81 TAAR1 (0.56) TAAR1HRH3HTR7AOC3HSD17B1
SCHEMBL19496621 0.81 TAAR1 (0.70) TAAR1HRH3HTR7AOC3ALDH1A1
SCHEMBL14100109 0.81 TAAR1 (0.56) TAAR1HRH3HTR7AOC3NOS1
SCHEMBL12894971 0.80 BCL2 (0.62) PRKCIMGLLTSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 TAAR1 758/4885HRH3 4362/4885PRKCI 3822/4885

“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.