SCHEMBL2211047

SCHEMBL2211047

Cc1ccc(CO)c(C)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
CD44 P16070 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNE Q04844 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SHBG P04278 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL28124473 0.84 POLB (0.41) POLBPDCD1CD274CD44MAPT
SCHEMBL1259716 0.81 POLB (0.54) POLBCD44MAPTKDM4EALDH1A1
SCHEMBL10946904 0.79 POLB (0.52) POLBCD44MAPTKDM4EALDH1A1
SCHEMBL11661917 0.79 POLB (0.52) POLBCD44MAPTKDM4EALDH1A1
SCHEMBL358606 0.78 PDCD1 (0.43) PDCD1CD274KDM4EALDH1A1SMN1; SMN2
SCHEMBL13199168 0.77 PDCD1 (0.50) PDCD1CD274KDM4EALDH1A1SMN1; SMN2
Phosphine SCHEMBL3840466 0.76 PDCD1 (0.42) PDCD1CD274SMN1; SMN2SHBGTSHR
Ammonia Solution, Strong SCHEMBL439692 0.76 PDCD1 (0.42) PDCD1CD274ALDH1A1SMN1; SMN2SHBG
SCHEMBL4559114 0.76 ALDH1A1 (0.34) POLBPDCD1CD274KDM4EALDH1A1
SCHEMBL8005869 0.75 PKM (0.38) PDCD1CD274MAPTKDM4EALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114977-A1 S1PR4 RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF TIAKI THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
CN-102348698-B Inhibitors of beta-secretase VITAE PHARMACEUTICALS INC 2015-06-03 CN disclosed
CN-101495480-B Constrained compounds as cgrp-receptor antagonists BRISTOL MYERS SQUIBB CO 2013-07-10 CN disclosed
EP-2013213-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
CN-101495480-A Constrained compounds as cgrp-receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2009-07-29 CN disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
EP-2013214-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2009-01-14 EP disclosed
EP-2013213-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2009-01-14 EP disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7384930-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
WO-2007130860-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007130927-A2 CONDENSED TRICYCLIC COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007131020-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
EP-1809633-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2007-07-25 EP disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US disclosed
WO-2006052378-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 WO disclosed
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-05-04 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 (4 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-20060229447-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL POLB 3259/4885PDCD1 1855/4885CD274 1145/4885
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL POLB 3259/4885PDCD1 1855/4885CD274 1145/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL POLB 3259/4885PDCD1 1855/4885CD274 1145/4885
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL POLB 3259/4885PDCD1 1855/4885CD274 1145/4885

“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.