SCHEMBL377990

SCHEMBL377990

CC1(C)CC(=O)Nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.52
PDK4 Q16654 1/20 0.52
AHR P35869 1/20 0.48
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
NPC1 O15118 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
BRD4 O60885 5/20 0.42
CREBBP Q92793 4/20 0.42
EP300 Q09472 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
Hydrochloric Acid SCHEMBL30293229 0.98 PDK2 (0.50) PDK2PDK4AHRRARBRARG
SCHEMBL885655 0.81 PDK2 (0.48) PDK2PDK4AHRNPC1MAPK13
SCHEMBL18421067 0.78 NPSR1 (0.52) PDK2PDK4AHRNPC1MAPK13
SCHEMBL12508048 0.78 BACE1 (0.47) PDK2PDK4AHRNPC1MAPK13
SCHEMBL24569636 0.76 PDK2 (0.44) PDK2PDK4AHRNPC1MAPK13
SCHEMBL2242664 0.76 CYP1A2 (0.49) RARBRARGBRD4CREBBPHDAC3
SCHEMBL11988473 0.76 RARB (0.52) AHRRARBRARGBRD4CREBBP
SCHEMBL17675519 0.74 HDAC3 (0.46) AHRRARBRARGHDAC3HDAC4
SCHEMBL3140413 0.74 CA9 (0.53) AHRRARBRARGHDAC3HDAC4
SCHEMBL5643759 0.74 PGR (0.51) RARBRARGHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 EP disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
CN-109988093-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-04-07 CN disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
CN-106573915-B Compounds active against bromodomains 纽韦卢森公司 2020-12-25 CN disclosed
EP-3342766-B1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2020-12-09 EP disclosed
EP-3342766-B1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2020-12-09 EP disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US disclosed
US-4954498-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed
EP-0327986-A2 Medicaments containing lactams, substituted lactams and process for their preparation Roche Diagnostics GmbH (DE) 1989-08-16 EP disclosed
US-4826852-A Novel ergolinyl compounds nitrogen-substituted in the 8-position, useful for treating dopamine deficiency SCHERING AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed
US-4808597-A Method for inhibiting the degradation of cartilage PFIZER INC. (US) 1989-02-28 US disclosed
EP-0130795-B1 CARBOXYLIC ACID DERIVATIVES USEFUL FOR INHIBITING THE DEGRADATION OF CARTILAGE PFIZER INC. (US) 1988-11-23 EP disclosed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed
EP-0185392-A2 Novel ergolinyl compounds nitrogen-substituted in the 8-position, their preparation, and use as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1986-06-25 EP disclosed
EP-0130795-A2 Carboxylic acid derivatives useful for inhibiting the degradation of cartilage PFIZER INC. (US) 1985-01-09 EP disclosed
EP-0082808-A1 Novel ergolinyl compounds nitrogen-substituted in the 8-position, their preparation, and use as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1983-06-29 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 (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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 PDK2 4/4885PDK4 26/4885AHR 509/4885

“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.