SCHEMBL1395133

SCHEMBL1395133

COc1ccc2c(c1)NCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
PPARG P37231 3/20 0.50
PPARD Q03181 3/20 0.50
PPARA Q07869 3/20 0.50
HTR5A P47898 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KDR P35968 2/20 0.43
PARP1 P09874 1/20 0.43
CDK1 P06493 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
ACHE P22303 1/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
DRD4 P21917 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL30471897 1.00 HRH3 (0.52) HRH3PPARGPPARDPPARAHTR5A
SCHEMBL1248073 0.95 PPARG (0.49) HRH3PPARGPPARDPPARAHTR5A
SCHEMBL30025932 0.89 HTR2C (0.50) HRH3HTR5AHTR2AHTR2CHTR2B
SCHEMBL550150 0.89 HTR2C (0.50) HRH3HTR5AHTR2AHTR2CHTR2B
SCHEMBL665048 0.86 CA12 (0.53) HRH3HTR2CKDRPARP1CDK1
Hydrochloric Acid SCHEMBL8021718 0.84 KDM4E (0.53) HRH3HTR2CKDRPARP1CDK1
SCHEMBL10911838 0.81 PPARG (0.50) HRH3PPARGPPARDPPARAACHE
SCHEMBL2778234 0.81 HRH3 (0.48) HRH3HTR2CKDRDRD2DRD1
Acetic Acid SCHEMBL10992625 0.80 CPS1 (0.48) PPARGPPARDPPARAHTR5AHTR2A
Hydrochloric Acid SCHEMBL3526192 0.79 KDM4E (0.48) HRH3HTR2CKDRDRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943134-A Room-temperature dehydrogenation reaction system of photocatalytic organic liquid hydrogen storage material and preparation method and application thereof 中国科学院理化技术研究所 2020-11-17 CN claimed
US-20260085077-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2026-03-26 US disclosed
EP-4583976-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-07-16 EP disclosed
EP-4583977-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-07-16 EP disclosed
WO-2025104123-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-05-22 WO disclosed
WO-2024052512-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 WO disclosed
WO-2024052513-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 WO disclosed
US-20230301171-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-21 US disclosed
US-20230301171-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-21 US disclosed
CN-116462713-A Organometallic compound, light-emitting device including the same, and electronic device 三星显示有限公司 2023-07-21 CN disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 WO disclosed
EP-0567622-B1 NEW PENTACYCLIC COMPOUNDS AND THEIR USE AS ABSORPTION OR FLUORESCENCE DYES BOEHRINGER MANNHEIM GMBH (DE) 1996-04-24 EP disclosed
WO-1993010189-A1 NEW PENTACYCLIC COMPOUNDS AND THEIR USE AS ABSORPTION OR FLUORESCENCE DYES BOEHRINGER MANNHEIM GMBH (DE) 1993-05-27 WO disclosed
EP-0543333-A1 New pentacyclic compounds and their use as absorption or fluorescence dyestuffs Roche Diagnostics GmbH (DE) 1993-05-26 EP disclosed
EP-0173208-A1 Tetrahydroquinolin-1-yl-carbonyl-imidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed
US-4210757-A Novel naphthoylene-perinones disperse dyestuffs CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
US-4067889-A 2-CYANO-3-AMINO-BENZANTHRONES AS PRECURSORS CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-3970675-A ANTHRONE-AMIDINE CIBA-GEIGY CORPORATION (US) 1976-07-20 US 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-20230301171-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, GPX1, NFE2L2 HRH3 4255/4885PPARG 3274/4885PPARD 3483/4885
US-20260085077-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS TYK2, JAK1, JAK3 HRH3 151/4885PPARG 2020/4885PPARD 2966/4885

“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.