SCHEMBL506139

SCHEMBL506139

O=C(N1CCc2ccccc2CC1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.59
ESR2 Q92731 4/20 0.59
ABHD6 Q9BV23 1/20 0.56
NOTUM Q6P988 1/20 0.53
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RIPK1 Q13546 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL30263783 0.91 ESR1 (0.68) ESR1ESR2ABHD6NOTUMMEN1
SCHEMBL566389 0.91 ESR1 (0.68) ESR1ESR2ABHD6NOTUMMEN1
SCHEMBL3711251 0.90 ABHD6 (0.52) ESR1ESR2ABHD6NOTUMMEN1
SCHEMBL3711249 0.90 ABHD6 (0.52) ESR1ESR2ABHD6NOTUMMEN1
SCHEMBL5908776 0.83 ABHD6 (0.59) ESR1ESR2ABHD6NOTUMMEN1
SCHEMBL5908773 0.83 ABHD6 (0.59) ESR1ESR2ABHD6NOTUMMEN1
SCHEMBL506963 0.82 ESR1 (0.50) ESR1ESR2ABHD6
SCHEMBL373697 0.81 ESR2 (0.83) ESR1ESR2ABHD6
SCHEMBL5424954 0.81 RIPK1 (0.72) ESR1ESR2ABHD6NOTUMMEN1
SCHEMBL13473669 0.81 RIPK1 (0.68) NOTUMMEN1MAPTKMT2ATAAR1

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 127 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
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHONGZE THERAPEUTICS, CO. LTD. (CN) 2023-05-25 US disclosed
US-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHONGZE THERAPEUTICS, CO. LTD. (CN) 2023-05-25 US disclosed
WO-2022242696-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF 上海赛岚生物科技有限公司 2022-11-24 WO disclosed
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
EP-1876179-B1 Thienopyrimidone compounds TAKEDA PHARMACEUTICAL (JP) 2015-03-25 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
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 WO disclosed
US-5798352-A Antithrombotic amidinotetrahydropyridylalanine derivatives PFIZER INC. (US) 1998-08-25 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
US-5750520-A SELECTIVE THROMBIN INHIBITORS; WOUND HEALING AGENTS PFIZER INC. (US) 1998-05-12 US disclosed
EP-0728132-B1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1997-07-16 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-1996004271-A1 CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-02-15 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 (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-20230159463-A1 BENZONITRIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HDAC11, HDAC1, HDAC6 ESR1 2629/4885ESR2 3875/4885ABHD6 1791/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 ESR1 2635/4885ESR2 2553/4885ABHD6 2528/4885
US-20240307409-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF PRMT1, PRMT7, PRMT8 ESR1 4186/4885ESR2 3358/4885ABHD6 2360/4885

“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.