SCHEMBL171896

SCHEMBL171896

CCCOc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.68
CHRNA4 P43681 6/20 0.68
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP19A1 P11511 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL30338591 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
Ammonia Solution, Strong SCHEMBL7207615 0.98 CHRNB2 (0.66) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL422229 0.90 CYP2C9 (0.70) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL23596366 0.89 CHRNB2 (0.60) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL20730105 0.89 CHRNB2 (0.64) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL19055583 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL9367178 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL4888697 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL30542607 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL3229561 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452681-A Quantum dot solution and preparation method thereof TCL CORP 2019-11-15 CN claimed
CN-101687815-A Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI AVENTIS 2010-03-31 CN claimed
CN-101687865-A A regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI AVENTIS 2010-03-31 CN claimed
EP-4318630-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2025-10-22 EP disclosed
US-12247027-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-03-11 US 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
US-20240116930-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-11 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
CN-1434810-A Piperidyloxy and pyrrolidinophenyl oxazolidinones as antibacterial agents ORTHO MCNEIL PHARM INC (US) 2003-08-06 CN disclosed
CN-1395562-A Nitrogenous cyclic compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2003-02-05 CN disclosed
CN-1336930-A Bridged heterocyclic derivatives GPINIL HOLDING CORP (US) 2002-02-20 CN disclosed
CN-1296478-A Histamine H3 receptor ligands BLACK JAMES FOUNDATION (GB) 2001-05-23 CN disclosed
CN-1271354-A Compounds possessing neuronal activity VERTEX PHARMA (US) 2000-10-25 CN disclosed
CN-1045962-C Pyridopyridazinone or pyridinopyridazinethione compounds, intermediates for their preparation, pharmaceutical compositions containing them and their use SYNTEX INC (US) 1999-10-27 CN disclosed
CN-1211244-A Radicicol derivatives KYOWA HAKKO KOGYO KK (JP) 1999-03-17 CN disclosed
CN-1206407-A Substituted vinylpyridine derivatives and medicaments containing them SS PHARMACEUTICAL CO (JP) 1999-01-27 CN disclosed
CN-1088927-A Benzo and pyrido pyridazinone and pyridazinthione compounds SYNTEX A INC (US) 1994-07-06 CN 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 (3 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-12247027-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 CHRNB2 117/4885CHRNA4 214/4885CYP3A4 850/4885
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte CLK2, TYK2, CLK3 CHRNB2 748/4885CHRNA4 1620/4885CYP3A4 3798/4885
US-20240116930-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 CHRNB2 117/4885CHRNA4 214/4885CYP3A4 850/4885

“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.