SCHEMBL422229

SCHEMBL422229

CCCCOc1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.70
CYP2C19 P33261 4/20 0.70
CYP2D6 P10635 4/20 0.70
CYP3A4 P08684 3/20 0.70
CYP19A1 P11511 2/20 0.70
KMT2A Q03164 1/20 0.66
CHRNB2 P17787 6/20 0.66
CHRNA4 P43681 6/20 0.66
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.59
TSHR P16473 2/20 0.59
FAAH O00519 1/20 0.58
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL20730105 0.94 CHRNB2 (0.64) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL9367178 0.93 CHRNB2 (0.62) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL30542607 0.93 CHRNB2 (0.62) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL3229561 0.93 CHRNB2 (0.62) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL19055583 0.93 CHRNB2 (0.62) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL4888697 0.93 CHRNB2 (0.62) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
Hydrochloric Acid SCHEMBL29969480 0.91 CHRNB2 (0.60) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL30338591 0.90 CHRNB2 (0.68) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL171896 0.90 CHRNB2 (0.68) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1
SCHEMBL2270670 0.89 KMT2A (0.67) CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4318630-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2025-10-22 EP disclosed
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-01-14 US disclosed
EP-4415105-A2 NON-AQUEOUS SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE Asahi Kasei Kabushiki Kaisha (JP) 2024-08-14 EP disclosed
US-20240178452-A1 Nonaqueous Electrolyte Solution and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-05-30 US disclosed
EP-4318630-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2024-02-07 EP disclosed
CN-117223143-A Nonaqueous electrolyte and nonaqueous secondary battery 旭化成株式会社 2023-12-12 CN disclosed
WO-2022203072-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY 旭化成株式会社 2022-09-29 WO disclosed
US-20220293929-A1 Non-Aqueous Secondary Battery and Non-Aqueous Electrolyte ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-09-15 US disclosed
EP-4009398-A1 NON-AQUEOUS SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE Asahi Kasei Kabushiki Kaisha (JP) 2022-06-08 EP disclosed
CN-114342145-A Nonaqueous secondary battery and nonaqueous electrolyte 旭化成株式会社 2022-04-12 CN disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 CN disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
EP-1212301-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-06-12 EP disclosed
WO-2001016107-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-03-08 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 (5 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-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 CYP2C9 287/4885CYP2C19 379/4885CYP2D6 126/4885
US-20220293929-A1 Non-Aqueous Secondary Battery and Non-Aqueous Electrolyte CLK2, TYK2, CLK3 CYP2C9 2711/4885CYP2C19 2909/4885CYP2D6 4271/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CYP2C9 269/4885CYP2C19 351/4885CYP2D6 132/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 CYP2C9 269/4885CYP2C19 351/4885CYP2D6 132/4885
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte CLK2, TYK2, CLK3 CYP2C9 2711/4885CYP2C19 2909/4885CYP2D6 4271/4885

“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.