SCHEMBL4096979

SCHEMBL4096979

COc1ccc(-n2c(Cl)nc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.54
ROCK1 Q13464 1/20 0.54
HTT P42858 5/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 8/20 0.49
MAPT P10636 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
CNR2 P34972 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48

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
SCHEMBL541002 0.83 HTT (0.70) RPS6KB1ROCK1HTTSMN1; SMN2ALDH1A1
SCHEMBL4083024 0.82 L3MBTL1 (0.56) HTTSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL4931125 0.82 CYP19A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4095150 0.82 SMN1; SMN2 (0.53) HTTSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL12730136 0.81 MAPK1 (0.61) RPS6KB1ROCK1HTTSMN1; SMN2ALDH1A1
SCHEMBL10353247 0.81 RPS6KB1 (0.54) RPS6KB1ROCK1HTTSMN1; SMN2ALDH1A1
SCHEMBL10894564 0.81 RAB9A (0.51) RPS6KB1ROCK1HTTSMN1; SMN2ALDH1A1
SCHEMBL8011388 0.80 TP53 (0.66) RPS6KB1ROCK1HTTSMN1; SMN2ALDH1A1
SCHEMBL4933492 0.80 DCTPP1 (0.53) HTTSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL6912346 0.80 ALDH1A1 (0.67) RPS6KB1ROCK1HTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 US disclosed
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 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 (3 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-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands CHRNA7, CHRNA5, CHRNA2 RPS6KB1 2328/4885ROCK1 3246/4885HTT 2088/4885
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R RPS6KB1 1137/4885ROCK1 1927/4885HTT 907/4885
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 RPS6KB1 2523/4885ROCK1 3685/4885HTT 2390/4885

“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.