SCHEMBL381125

SCHEMBL381125

CC(C)(C)OC(=O)c1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.55
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
PBRM1 Q86U86 1/20 0.50
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
STAT3 P40763 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL29634161 1.00 SLC7A5 (0.55) SLC7A5ADRB2ADRB1ADRB3PBRM1
SCHEMBL27760277 0.87 ADRB2 (0.47) SLC7A5ADRB2ADRB1ADRB3PBRM1
SCHEMBL110296 0.87 SLC7A5 (0.58) SLC7A5STAT3CA12CA1CA2
Water SCHEMBL28897664 0.85 SLC7A5 (0.56) SLC7A5STAT3CA12CA1CA2
SCHEMBL28350987 0.85 SLC7A5 (0.56) SLC7A5STAT3CA12CA1CA2
Hydrogen Peroxide SCHEMBL27146001 0.85 SLC7A5 (0.60) SLC7A5LMNASTAT3CA12CA1
SCHEMBL8097492 0.82 CA12 (0.49) SLC7A5LMNASTAT3CA12CA1
SCHEMBL31188294 0.82 CA12 (0.49) SLC7A5LMNASTAT3CA12CA1
SCHEMBL21015802 0.82 SLC7A5 (0.55) SLC7A5POLBSTAT3CA12CA1
SCHEMBL27408427 0.82 SLC7A5 (0.55) SLC7A5STAT3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719602-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-04-08 EP disclosed
CN-121494772-A Preparation method of 3-N-maleimide benzoic acid 杭州福斯特药业有限公司 2026-02-10 CN disclosed
US-12491251-B2 Degraders of cyclin-dependent kinase 7 (CDK7) and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-12-09 US disclosed
EP-4010336-B1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) AND USES THEREOF DANA FARBER CANCER INST INC (US) 2025-04-02 EP disclosed
US-20250051375-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. 2025-02-13 US disclosed
CN-114174281-B Degradation agent for cyclin-dependent kinase 7 (CDK 7) and use thereof 达纳-法伯癌症研究公司 2025-02-07 CN disclosed
US-20250041429-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF UBIX THERAPEUTICS, INC. (KR) 2025-02-06 US disclosed
CN-116348109-B Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2025-01-21 CN disclosed
WO-2024249517-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-12-05 WO disclosed
EP-4428130-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF Ubix Therapeutics, Inc. (KR) 2024-09-11 EP disclosed
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed
EP-0756602-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1997-02-05 EP disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
US-5585376-A 1,5-benzodiazepine derivatives having CCK and/or gastrin antagonistic activity GLAXO WELLCOME INC. (US) 1996-12-17 US disclosed
EP-0694040-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO WELLCOME INC. (US) 1996-01-31 EP disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1995028419-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1994024151-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 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 (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-12491251-B2 Degraders of cyclin-dependent kinase 7 (CDK7) and uses thereof CDK7, CDK8, CDK17 SLC7A5 4548/4885ADRB2 4359/4885ADRB1 4240/4885
US-20250051375-A1 ANTI-HIV COMPOUNDS CCR5, CD4, NFATC1 SLC7A5 628/4885ADRB2 2346/4885ADRB1 1328/4885
US-20250041429-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF BTK, LYN, SYK SLC7A5 3337/4885ADRB2 4633/4885ADRB1 4584/4885

“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.