SCHEMBL2879591

SCHEMBL2879591

O=C(CCl)c1cn2c3c(cccc13)CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.53
MTNR1B P49286 7/20 0.53
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCL1 Q07820 1/20 0.41
OPA1 O60313 1/20 0.40
EIF5B O60841 1/20 0.40
MET P08581 1/20 0.40
HMOX2 P30519 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14012424 0.87 MTNR1A (0.51) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL12450012 0.86 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL13248792 0.86 HTR2A (0.58) MTNR1AMTNR1BHTR2AHTR2CKMT2A
Hydrochloric Acid SCHEMBL2874439 0.85 HTR2A (0.56) MTNR1AMTNR1BHTR2AHTR2CKMT2A
SCHEMBL2023775 0.85 HTR2A (0.51) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL2348471 0.84 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL2342187 0.83 HTR2A (0.48) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL1395799 0.83 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL27977245 0.82 HTR2A (0.51) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL2020434 0.82 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed
EP-2170870-B1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE INC (US) 2014-03-05 EP disclosed
EP-2170870-B1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE INC (US) 2014-03-05 EP disclosed
US-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 US disclosed
US-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 US disclosed
US-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 US disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 US disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 US disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 US disclosed
EP-2170870-A1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ArQule, Inc. (US) 2010-04-07 EP disclosed
WO-2009002806-A1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 WO disclosed
WO-2009002806-A1 PYRROLIDINONE, PYRROLIDINE-2, 5-DIONE, PYRROLIDINE AND THIOSUCCINIMIDE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 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 (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-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer PYCR1, DHPS, TYMP MTNR1A 2134/4885MTNR1B 1203/4885HTR2A 3957/4885

“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.