SCHEMBL277017

SCHEMBL277017

CCOC(=O)COc1ccc(-n2nc(C)c(C)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
P2RX3 P56373 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
P2RY12 Q9H244 1/20 0.43

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
SCHEMBL277227 0.89 CNR1 (0.48) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL276790 0.81 CNR1 (0.75) MAPTCYP1A2CYP3A4CYP2C19NPSR1
SCHEMBL5207122 0.78 GAA (0.66) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL4187519 0.76 CA1 (0.58) KDM4EALDH1A1MAPTKMT2ACYP3A4
SCHEMBL24806572 0.74 GAA (0.60) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL276779 0.73 CNR1 (0.49) MAPTKMT2ACYP1A2CNR1CA1
SCHEMBL9267668 0.72 GAA (0.70) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL11460802 0.72 NPSR1 (0.57) MAPTCYP1A2CYP3A4CYP2C19P2RX3
SCHEMBL21991775 0.72 GAA (0.57) KDM4EALDH1A1MAPTHPGDCYP1A2
SCHEMBL277032 0.71 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133904-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-13 US disclosed
US-8088798-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity Jensen Discovery, Inc. 2012-01-03 US disclosed
US-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2010-06-10 US disclosed
US-7687481-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2010-03-30 US disclosed
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 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 (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-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 KDM4E 1728/4885ALDH1A1 3407/4885TP53 4871/4885
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 KDM4E 1728/4885ALDH1A1 3407/4885TP53 4871/4885
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction CNR2, CNR1, GPR119 KDM4E 2057/4885ALDH1A1 2408/4885TP53 4865/4885

“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.