Semotiadil

Semotiadil

SCHEMBL80715

COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(C)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
EDNRA P25101 2/20 0.37
CACNA1S Q13698 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MAOB P27338 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Levosemotiadil SCHEMBL678293 1.00 CYP3A4 (0.68) CYP3A4EDNRACACNA1SDRD2DRD3
Semotiadil SCHEMBL29396077 1.00 CYP3A4 (0.68) CYP3A4EDNRACACNA1SDRD2DRD3
Semotiadil SCHEMBL678676 1.00 CYP3A4 (0.68) CYP3A4EDNRACACNA1SDRD2DRD3
SCHEMBL7376974 0.98 CYP3A4 (0.65) CYP3A4EDNRACACNA1SDRD2DRD3
SCHEMBL10676730 0.98 CYP3A4 (0.65) CYP3A4EDNRACACNA1SDRD2DRD3
Oxalic Acid SCHEMBL9748438 0.96 CYP3A4 (0.66) CYP3A4EDNRADRD2DRD3MAPK1
Semotiadil SCHEMBL7382921 0.94 CYP3A4 (0.64) CYP3A4EDNRADRD2DRD3MEN1
Levosemotiadil SCHEMBL30873510 0.94 CYP3A4 (0.64) CYP3A4EDNRADRD2DRD3MEN1
Semotiadil SCHEMBL7299290 0.94 CYP3A4 (0.64) CYP3A4EDNRADRD2DRD3MEN1
Semotiadil SCHEMBL7299286 0.94 CYP3A4 (0.64) CYP3A4EDNRADRD2DRD3MEN1

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

Appears in 2333 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299348-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. 2024-09-12 US claimed
WO-2023183932-A2 MONOBODIES BINDING TO INTERCELLULAR ADHESION MOLECULE 2 (ICAM-2) NEW YORK UNIVERSITY (US) 2023-09-28 WO claimed
WO-2022150461-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2022-07-14 WO claimed
EP-3485908-B1 THERAPEUTIC COMBINATION AND USE OF DLL4 ANTAGONIST ANTIBODIES AND ANTI-HYPERTENSIVE AGENTS MEREO BIOPHARMA 5 INC (US) 2021-08-18 EP claimed
EP-3072526-B1 THERAPEUTIC COMBINATION AND USE OF DLL4 ANTAGONIST ANTIBODIES AND ANTI-HYPERTENSIVE AGENTS ONCOMED PHARM INC (US) 2018-09-26 EP claimed
US-9982042-B2 Therapeutic combination and methods of treatment with a DLL4 antagonist and an anti-hypertensive agent ONCOMED PHARMACEUTICALS, INC. (US) 2018-05-29 US claimed
US-20170166632-A1 Therapeutic Combination and Methods of Treatment With A DLL4 Antagonist and an Anti-Hypertensive Agent ONCOMED PHARMACEUTICALS, INC. 2017-06-15 US claimed
EP-2480224-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF MCP-1 MEDIATED INFLAMMATORY DISEASES ACRAF (IT) 2017-05-24 EP claimed
US-9511139-B2 Therapeutic combination and methods of treatment with a DLL4 antagonist and an anti-hypertensive agent ONCOMED PHARMACEUTICALS, INC. (US) 2016-12-06 US claimed
EP-3072526-A1 THERAPEUTIC COMBINATION AND USE OF DLL4 ANTAGONIST ANTIBODIES AND ANTI-HYPERTENSIVE AGENTS Oncomed Pharmaceuticals, Inc. (US) 2016-09-28 EP claimed
WO-2002087556-A9 PROBUCOL MONOESTERS AND THEIR USE TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY ATHEROGENICS INC (US) 2003-03-20 WO claimed
WO-2002087556-A2 PROBUCOL MONOESTERS AND THEIR USE TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY ATHEROGENICS, INC. (US) 2002-11-07 WO claimed
US-20020042405-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure SCHUH JOSEPH R (US) 2002-04-11 US claimed
WO-2002009761-A2 EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST AND CALCIUM CHANNEL BLOCKER COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE PHARMACIA CORPORATION (US) 2002-02-07 WO claimed
CN-1315945-A Nitrate salts of antihypertensive drugs NICOX SA (FR) 2001-10-03 CN claimed
US-6281208-B1 E.G., 3,4-DIHYDRO-2-(5-METHOXY-2-(3-(N-METHYL-N-(2-((3,4-METHYLENEDI OXY) PHENOXY)ETHYL)AMINO)PROPOXY)PHENYL)-4-METHYL-3-OXO-2H-1,4-BENZ SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-08-28 US claimed
EP-0492164-B1 Therapeutic agent for glaucoma containing 2-phenyl-3-oxo-2H-1,4-benzothiazine derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 1996-02-07 EP claimed
EP-0639986-A1 TOPICAL OPHTHALMIC COMPOSITIONS COMPRISING A COMBINATION OF CALCIUM ANTAGONISTS WITH KNOWN ANTIGLAUCOMA AGENTS ALCON LABORATORIES, INC. (US) 1995-03-01 EP claimed
WO-1993023082-A1 TOPICAL OPHTHALMIC COMPOSITIONS COMPRISING A COMBINATION OF CALCIUM ANTAGONISTS WITH KNOWN ANTIGLAUCOMA AGENTS ALCON LABORATORIES, INC. (US) 1993-11-25 WO claimed
EP-0492164-A1 Therapeutic agent for glaucoma containing 2-phenyl-3-oxo-2H-1,4-benzothiazine derivatives SANTEN PHARMACEUTICAL CO., LTD (JP) 1992-07-01 EP claimed