SCHEMBL3715253

SCHEMBL3715253

c1ccc(CC(c2ccccc2)N2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 1.00
CYP2C19 P33261 6/20 1.00
CYP3A4 P08684 5/20 1.00
CYP2D6 P10635 5/20 1.00
TSHR P16473 1/20 1.00
SLC6A4 P31645 9/20 0.70
SLC6A2 P23975 5/20 0.70
HRH3 Q9Y5N1 2/20 0.68
OPRM1 P35372 1/20 0.60
OPRD1 P41143 1/20 0.60
OPRK1 P41145 1/20 0.60
OPRL1 P41146 1/20 0.60
CYP2C9 P11712 5/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
KCNA5 P22460 4/20 0.55
KCNH2 Q12809 4/20 0.55
KCNE1 P15382 1/20 0.55
SLC6A3 Q01959 1/20 0.52
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL9366741 0.98 CYP1A2 (0.96) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL9366928 0.89 CYP2D6 (0.79) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL9366991 0.89 CYP1A2 (0.79) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL29766950 0.89 CYP1A2 (0.79) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL29154466 0.89 CYP1A2 (0.79) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
Fumaric Acid SCHEMBL467224 0.88 CYP1A2 (0.77) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
Maleic Acid SCHEMBL467223 0.88 CYP1A2 (0.77) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL10317634 0.86 CYP1A2 (0.76) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL16225987 0.85 CYP1A2 (0.72) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL9366750 0.85 CYP1A2 (0.72) CYP1A2CYP2C19CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12539337-B2 Nanostructure conjugates for modulation of location-specific subtypes of receptors and ion channels Molokanova, Elena (US) 2026-02-03 US claimed
US-20230355596-A1 COMPOSITIONS AND METHODS OF USING NMDAR INHIBITORS AND KINASE INHIBITORS TO TREAT LIVER CANCER VERSITECH LIMITED (CN) 2023-11-09 US claimed
WO-2010101649-A2 SIGMA 1 RECEPTOR INHIBITION AS A NOVEL THERAPEUTICAL APPROACH AGAINST HEPATITIS C VIRUS INFECTION GASTAMINZA PABLO (US) 2010-09-10 WO claimed
EP-1773306-A1 MEDICAMENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Greenpharma (FR) 2007-04-18 EP claimed
WO-2006018538-A1 MEDICAMENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS GREENPHARMA (FR) 2006-02-23 WO claimed
EP-0346791-B1 1,2-diarylethylamines for treatment of neurotoxic injury SEARLE & CO (US) 1994-04-06 EP claimed
EP-0346791-A1 1,2-diarylethylamines for treatment of neurotoxic injury G.D. Searle & Co. (US) 1989-12-20 EP claimed
JP-2036171-A None JP disclosed
US-12636264-B2 Methods and materials for diagnosis and treatment of neuronal disorder GENEMO, INC. (US) 2026-05-26 US disclosed
US-12539337-B2 Nanostructure conjugates for modulation of location-specific subtypes of receptors and ion channels Molokanova, Elena (US) 2026-02-03 US disclosed
US-20240383894-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME UNIV RUTGERS (US) 2024-11-21 US disclosed
EP-4452488-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME Rutgers, The State University Of New Jersey (US) 2024-10-30 EP disclosed
CN-111278811-B Aminobenzimidazole derivatives, methods of treating and inhibiting histone deacetylase 转化药物开发有限责任公司 2024-08-23 CN disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
WO-2010101649-A2 SIGMA 1 RECEPTOR INHIBITION AS A NOVEL THERAPEUTICAL APPROACH AGAINST HEPATITIS C VIRUS INFECTION GASTAMINZA PABLO (US) 2010-09-10 WO disclosed
EP-1773306-A1 MEDICAMENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Greenpharma (FR) 2007-04-18 EP disclosed
WO-2006018538-A1 MEDICAMENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS GREENPHARMA (FR) 2006-02-23 WO disclosed
EP-0346791-B1 1,2-diarylethylamines for treatment of neurotoxic injury SEARLE & CO (US) 1994-04-06 EP disclosed
JP-H0236171-A DIARYLETHYLENEDIAMINE DERIVATIVE AND PHARMACEUTICAL COMBUSTION CONTAINING THE SAME G D SEARLE & CO 1990-02-06 JP disclosed
EP-0346791-A1 1,2-diarylethylamines for treatment of neurotoxic injury G.D. Searle & Co. (US) 1989-12-20 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 (4 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-20230355596-A1 COMPOSITIONS AND METHODS OF USING NMDAR INHIBITORS AND KINASE INHIBITORS TO TREAT LIVER CANCER GRIN1, GRIN3A, GRIN3B CYP1A2 4459/4885CYP2C19 4581/4885CYP3A4 4480/4885
US-12539337-B2 Nanostructure conjugates for modulation of location-specific subtypes of receptors and ion channels GRIN2B, GRIN2A, GRIN3A CYP1A2 4734/4885CYP2C19 4666/4885CYP3A4 4582/4885
US-20240383894-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME NDC1, NUDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 940/4885CYP2C19 2262/4885CYP3A4 157/4885
US-12636264-B2 Methods and materials for diagnosis and treatment of neuronal disorder PHGDH, PSEN2, PSEN1 CYP1A2 4495/4885CYP2C19 3842/4885CYP3A4 4717/4885

“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.