SCHEMBL905226

SCHEMBL905226

NC1CCN(c2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.57
CHRNA4 P43681 11/20 0.57
CHRNB4 P30926 7/20 0.57
CHRNA3 P32297 7/20 0.57
CHRNA7 P36544 3/20 0.51
HRH3 Q9Y5N1 1/20 0.49
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRND Q07001 1/20 0.48

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
SCHEMBL17693389 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL29585444 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1421476 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL17728457 0.98 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL17728656 0.98 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL17728459 0.98 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2687257 0.91 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4830536 0.90 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4820774 0.90 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL29577432 0.90 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103613587-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD 2014-03-05 CN claimed
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
CN-1192028-C Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2005-03-09 CN claimed
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 US claimed
US-6833370-B1 Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine ABBOTT LABORATORIES 2004-12-21 US claimed
EP-1178982-B1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LAB (US) 2004-06-30 EP claimed
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 CN claimed
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 US disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
US-20210077478-A1 METHOD OF COUNTERING RESPIRATORY DEPRESSION VIA ACTIVATION OF NEURONAL HETEROMERIC NICOTINIC ACETYLCHOLINE RECEPTORS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2021-03-18 US disclosed
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 US disclosed
US-6833370-B1 Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine ABBOTT LABORATORIES 2004-12-21 US disclosed
EP-1178982-B1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LAB (US) 2004-06-30 EP disclosed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 EP disclosed
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 CN disclosed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 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 (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-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD CHRNB2 1964/4885CHRNA4 1882/4885CHRNB4 1805/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD CHRNB2 362/4885CHRNA4 308/4885CHRNB4 299/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CHRNB2 31/4885CHRNA4 19/4885CHRNB4 38/4885

“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.