SCHEMBL7338382

SCHEMBL7338382

O=C(NCc1ccccc1)C1CCC(O)CC1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
USP2 O75604 1/20 0.76
HPGD P15428 1/20 0.76
NPSR1 Q6W5P4 2/20 0.64
MC4R P32245 1/20 0.57
HTR1A P08908 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.55
MAPT P10636 1/20 0.54

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
SCHEMBL17201385 1.00 ALDH1A1 (0.76) ALDH1A1USP2HPGDNPSR1MC4R
SCHEMBL29675228 0.93 ALDH1A1 (0.86) ALDH1A1USP2HPGDNPSR1MC4R
SCHEMBL2469546 0.93 ALDH1A1 (0.86) ALDH1A1USP2HPGDNPSR1MC4R
SCHEMBL5521157 0.88 ALDH1A1 (0.78) ALDH1A1USP2HPGDNPSR1MC4R
SCHEMBL18829414 0.86 ALDH1A1 (1.00) ALDH1A1USP2HPGDNPSR1MC4R
SCHEMBL6244724 0.86 ALDH1A1 (0.93) ALDH1A1USP2HPGDNPSR1MC4R
SCHEMBL13841230 0.85 ALDH1A1 (0.73) ALDH1A1USP2HPGDNPSR1MC4R
SCHEMBL25306721 0.85 ALDH1A1 (0.68) ALDH1A1USP2HPGDNPSR1MC4R
SCHEMBL25263942 0.85 ALDH1A1 (0.68) ALDH1A1USP2HPGDNPSR1MC4R
SCHEMBL25310521 0.85 ALDH1A1 (0.68) ALDH1A1USP2HPGDNPSR1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382234-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2016-07-05 US disclosed
US-20150307480-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2015-10-29 US disclosed
EP-2931707-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS Glaxosmithkline LLC (US) 2015-10-21 EP disclosed
CN-104968646-A Enhancer of Zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC 2015-10-07 CN disclosed
WO-2014107277-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-07-10 WO disclosed
EP-0813533-A4 SUBSTITUTED N-CYCLOALKYLMETHYL-1H-PYRAZOLO 3,4-b]QUINOLIN-4 AMINES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 2000-01-19 EP disclosed
US-5942520-A Method for inhibiting neoplastic cells by exposure to substituted N-cycloalkylmethyl-1-H-pyrazolo (3,4-B) quinolone-4 amines CELL PATHWAYS, INC. (US) 1999-08-24 US disclosed
EP-0813533-A1 SUBSTITUTED N-CYCLOALKYLMETHYL-1H-PYRAZOLO 3,4-b]QUINOLIN-4 AMINES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-12-29 EP disclosed
WO-1996028446-A1 SUBSTITUTED N-CYCLOALKYLMETHYL-1H-PYRAZOLO[3,4-b]QUINOLIN-4 AMINES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed
US-5488055-A ADMINISTERING GMP HOSPHODIESTERASE INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND CARDIOVASCULAR DISORDERS SANOFI WINTHROP INC. (US) 1996-01-30 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-20150307480-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, BMI1, EZH1 ALDH1A1 2517/4885USP2 1486/4885HPGD 2028/4885

“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.