SCHEMBL373718

SCHEMBL373718

Nc1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.58
ESR2 Q92731 7/20 0.58
NR1H2 P55055 1/20 0.53
HDAC6 Q9UBN7 2/20 0.45
PKM P14618 1/20 0.42
ABHD6 Q9BV23 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
HSD17B3 P37058 1/20 0.40
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4179872 0.91 ESR2 (0.72) ESR1ESR2NR1H2HDAC6PKM
SCHEMBL1641841 0.91 ESR1 (0.72) ESR1ESR2NR1H2HDAC6PKM
SCHEMBL29754116 0.91 ESR1 (0.72) ESR1ESR2NR1H2HDAC6PKM
Hydrochloric Acid SCHEMBL1639774 0.90 ESR1 (0.70) ESR1ESR2NR1H2HDAC6PKM
SCHEMBL719456 0.83 ESR1 (0.56) ESR1ESR2NR1H2HDAC6PKM
SCHEMBL373697 0.83 ESR2 (0.83) ESR1ESR2HDAC6ABHD6CA1
SCHEMBL3353692 0.82 ESR1 (0.60) ESR1ESR2NR1H2HDAC6PKM
SCHEMBL566629 0.81 ESR1 (0.58) ESR1ESR2HDAC6PKMABHD6
SCHEMBL1787936 0.81 ABHD6 (0.60) ESR1ESR2HDAC6PKMABHD6
SCHEMBL7849236 0.81 ESR2 (0.58) ESR1ESR2HDAC6PKMABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240307409-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2024-09-19 US disclosed
EP-4342878-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF Cytosinlab Therapeutics Co., Ltd. (CN) 2024-03-27 EP disclosed
WO-2022188823-A1 TRICYCLIC HPK1 INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2022-09-15 WO disclosed
EP-2938345-B1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING CO (US) 2018-08-22 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-9284277-B2 Benzazepines as serotonin 5-HT2C receptor ligands and uses thereof ABT HOLDING COMPANY (US) 2016-03-15 US disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
US-20140194411-A1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING COMPANY (US) 2014-07-10 US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP disclosed
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed
WO-1996002514-A1 UREA AND CARBAMIC ACID DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP 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 (2 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-20140194411-A1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF HTR2C, HTR2A, HTR5A ESR1 772/4885ESR2 489/4885NR1H2 612/4885
US-20240307409-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF PRMT1, PRMT7, PRMT8 ESR1 4186/4885ESR2 3358/4885NR1H2 715/4885

“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.