SCHEMBL4294175

SCHEMBL4294175

CN1CCC1c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.77
CHRNA7 P36544 4/20 0.77
CHRNA4 P43681 4/20 0.77
CHRNB4 P30926 3/20 0.77
CHRNA3 P32297 3/20 0.77
ALDH1A1 P00352 2/20 0.49
CHRNA2 Q15822 2/20 0.49
RIPK1 Q13546 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
PSIP1 O75475 1/20 0.49
TRPA1 O75762 1/20 0.49
HTR3B O95264 1/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
MAPT P10636 1/20 0.49
CHRNB1 P11230 1/20 0.49
CYP2A6 P11509 1/20 0.49
PTGS1 P23219 1/20 0.49

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
SCHEMBL16707758 0.88 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8679467 0.87 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7934551 0.87 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL13238778 0.87 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL155935 0.87 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL15836592 0.87 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL16130578 0.85 CHRNB2 (0.89) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL2606118 0.85 CHRNB2 (0.89) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL16130558 0.85 CHRNB2 (0.89) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL21599188 0.85 CHRNB2 (0.62) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105705489-B Compound as immunomodulator 百时美施贵宝公司 2019-04-26 CN claimed
CN-105705489-A Compounds useful as immunomodulators 百时美施贵宝公司 2016-06-22 CN claimed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-11690915-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-07-04 US disclosed
WO-2023107648-A2 SYNTHESIS OF ESTER, CARBONATE, AND CARBAMATE-DERIVED NOVEL BIODEGRADABLE IONIZABLE LIPIDS FROM METHYL RICINOLEATE OR METHYL 12-HYDROXYSTEARATE AND ITS APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 WO disclosed
WO-2023064585-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS ACTELTION PHARMACEUTICALS LTD (CH) 2021-12-23 US disclosed
US-11136317-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2021-10-05 US disclosed
US-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-09-09 US disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
EP-3310767-B1 2,5-DISUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AS NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-07-22 EP disclosed
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 US disclosed
US-20110301355-A1 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2011-12-08 US disclosed
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-11 US disclosed
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-07-07 US disclosed
WO-2011021726-A2 NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-24 WO disclosed
WO-2011006074-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-01-13 WO disclosed
WO-2010048314-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-04-29 WO disclosed
WO-2010033941-A1 SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-03-25 WO disclosed
CN-1802351-A Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO INC (US) 2006-07-12 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 (9 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-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL CHRNB2 4415/4885CHRNA7 4522/4885CHRNA4 4613/4885
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors PDXK, DTYMK, TNNI3K CHRNB2 2211/4885CHRNA7 1663/4885CHRNA4 1692/4885
US-11690915-B2 Ras inhibitors KRAS, NRAS, HRAS CHRNB2 4838/4885CHRNA7 4871/4885CHRNA4 4878/4885
US-20110301355-A1 Amidine compounds and herbicides DDT, GATD3, PAM CHRNB2 1487/4885CHRNA7 1410/4885CHRNA4 1187/4885
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS NTRK1, NTRK3, NTRK2 CHRNB2 796/4885CHRNA7 855/4885CHRNA4 806/4885
US-20230226186-A1 RAS INHIBITORS KRAS, NRAS, HRAS CHRNB2 4838/4885CHRNA7 4871/4885CHRNA4 4878/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K CHRNB2 1521/4885CHRNA7 1061/4885CHRNA4 1125/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB CHRNB2 2690/4885CHRNA7 2942/4885CHRNA4 1753/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB CHRNB2 2690/4885CHRNA7 2942/4885CHRNA4 1753/4885

“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.