Sugi Predict

Sugi Predict / Compounds / SCHEMBL1057440

SCHEMBL1057440

SCHEMBL1057440

NCC1CN2CCC1CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.48
▸ CHRNA4 P43681 2/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HRH1 P35367 1/20 0.39

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
Hydrochloric Acid SCHEMBL1966490 0.98 CHRNA7 (0.46) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7438188 0.88 — —
SCHEMBL7424270 0.81 CHRNA7 (0.44) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7416179 0.78 CHRNA7 (0.41) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL2607983 0.75 CHRNA7 (0.42) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL22776221 0.75 CHRNA7 (0.42) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL10915261 0.75 CHRNA7 (0.42) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL21573624 0.75 CHRNA7 (0.42) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL415807 0.75 CHRNA7 (0.42) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL14027182 0.75 CHRNA7 (0.42) CHRNA7CHRNA4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707138-B1 ISOFURANONE COMPOUNDS USEFUL AS HPK1 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-07-13 — — EP disclosed
US-11166959-B2 Isofuranone compounds useful as HPK1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-09 — — US disclosed
US-20200390776-A1 ISOFURANONE COMPOUNDS USEFUL AS HPK1 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-17 — — US disclosed
CN-111527084-A Isofuranone compounds useful as HPK1 inhibitors 百时美施贵宝公司 2020-08-11 — — CN disclosed
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2019-10-01 — — US disclosed
US-20180244682-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-08-30 — — US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 — — US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 — — US disclosed
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 — — US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 — — US disclosed
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 — — EP disclosed
EP-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 — — EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 — — US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 — — EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 — — WO disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 — — EP disclosed
WO-1991010664-A1 PYRIDAZINO[4,5-b]INDOLIZINES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-07-25 — — WO disclosed
US-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 — — US disclosed
US-4853376-A Benzamides and benzoates having anti-emetic activity BEECHAM GROUP, P.L.C. (GB) 1989-08-01 — — US disclosed
EP-0221702-A2 Quinolidine derivatives BEECHAM GROUP PLC (GB) 1987-05-13 — — 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 (6 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-20200390776-A1 ISOFURANONE COMPOUNDS USEFUL AS HPK1 INHIBITORS IP6K1, SIK1, HIPK1 CHRNA7 4055/4885CHRNA4 4411/4885CHRM2 4559/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CHRNA7 300/4885CHRNA4 269/4885CHRM2 365/4885
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof NFKBIA, TBKBP1, TBK1 CHRNA7 3301/4885CHRNA4 3885/4885CHRM2 4598/4885
US-20180244682-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 CHRNA7 3301/4885CHRNA4 3885/4885CHRM2 4598/4885
US-11166959-B2 Isofuranone compounds useful as HPK1 inhibitors IP6K1, SIK1, HIPK1 CHRNA7 4055/4885CHRNA4 4411/4885CHRM2 4559/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 CHRNA7 3301/4885CHRNA4 3885/4885CHRM2 4598/4885

“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.

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