SCHEMBL3092663

SCHEMBL3092663

Cc1cc(C[CH]C(=O)N2CCN(C3CCOCC3)CC2)cc(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.39
RAMP1 O60894 1/20 0.37
CALCRL Q16602 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE7A Q13946 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL2086480 0.88 ALDH1A1 (0.45) HRH3ALDH1A1PKMGAAKMT2A
SCHEMBL2088390 0.83 L3MBTL3 (0.50) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL3092669 0.80 HRH3 (0.50) HRH3ALDH1A1MEN1NPC1MAPT
SCHEMBL5250813 0.75 CCR3 (0.38) HRH3ALDH1A1GAAKDM4E
SCHEMBL3284870 0.73 CCR5 (0.41) ALDH1A1GAAKMT2A
SCHEMBL3285188 0.73 CCR5 (0.41) ALDH1A1GAAKMT2A
SCHEMBL6222355 0.72 L3MBTL3 (0.43) ALDH1A1MEN1GAAKMT2A
SCHEMBL3357947 0.72 L3MBTL3 (0.38) GAA
SCHEMBL2084827 0.71 PKM (0.49) ALDH1A1PKMMEN1MAPTKMT2A
SCHEMBL3311181 0.71 CCR5 (0.36) HRH3ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 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-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA HRH3 229/4885RAMP1 92/4885CALCRL 1/4885

“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.