SCHEMBL2676103

SCHEMBL2676103

c1ccc2[nH]c(N3CCCC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.96
ACHE P22303 2/20 0.96
HTR3A P46098 1/20 0.75
TP53 P04637 3/20 0.73
TRPC3 Q13507 1/20 0.69
RAB9A P51151 3/20 0.65
MAPT P10636 3/20 0.65
GFER P55789 3/20 0.59
TSHR P16473 2/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SORD Q00796 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 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
SCHEMBL717865 0.98 BCHE (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2241920 0.98 BCHE (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2674037 0.96 BCHE (0.90) BCHEACHEHTR3ATP53TRPC3
SCHEMBL8880315 0.90 HTR3A (0.82) BCHEACHEHTR3ATP53TRPC3
SCHEMBL3075702 0.87 HTR3A (0.88) BCHEACHEHTR3ATP53TRPC3
Bromide SCHEMBL6599072 0.86 HTR3A (0.85) BCHEACHEHTR3ATP53TRPC3
SCHEMBL25809621 0.86 BCHE (0.72) BCHEACHEHTR3ATP53TRPC3
SCHEMBL531762 0.86 HTR3A (1.00) BCHEACHEHTR3ATP53TRPC3
SCHEMBL4674485 0.86 BCHE (0.73) BCHEACHEHTR3ATP53TRPC3
SCHEMBL2674838 0.84 TP53 (1.00) BCHEACHEHTR3ATP53TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119855810-A General method for generating axial chirality through chiral accompaniment strategy and preparing axial chirality aromatic tertiary amine nitroxide ligand compound 中国科学院成都有机化学有限公司 2025-04-18 CN disclosed
CN-113512203-B Preparation method of chiral photosensitive metal organic framework material 江苏师范大学 2022-07-29 CN disclosed
CN-113512203-A Preparation method of chiral photosensitive metal organic framework material 江苏师范大学 2021-10-19 CN disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US disclosed
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP disclosed
CN-1353609-A Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-12 CN disclosed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP disclosed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed
EP-0013899-A2 Basic dyestuffs and their use in dyeing paper BASF Aktiengesellschaft (DE) 1980-08-06 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 (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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD BCHE 3980/4885ACHE 4457/4885HTR3A 3927/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD BCHE 613/4885ACHE 3515/4885HTR3A 2766/4885

“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.