SCHEMBL1600966

SCHEMBL1600966

O=CNC1Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ADH1B P00325 4/20 0.44
ADH1A P07327 4/20 0.44
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
GRIN2B Q13224 4/20 0.41
ADH1C P00326 3/20 0.41
ADH7 P40394 2/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.40
GRM7 Q14831 3/20 0.40
ADH4 P08319 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL13853529 0.86 MTNR1A (0.56) CA1CA2MTNR1AMTNR1BGRIN2B
SCHEMBL8561460 0.78 EPHX2 (0.52) CA1CA2ADH1BADH1AMTNR1A
SCHEMBL8561461 0.78 EPHX2 (0.52) CA1CA2ADH1BADH1AMTNR1A
SCHEMBL8561458 0.78 EPHX2 (0.52) CA1CA2ADH1BADH1AMTNR1A
SCHEMBL6589968 0.78 CA1 (0.52) CA1CA2MTNR1AMTNR1BGRIN2B
SCHEMBL7349262 0.75 MTNR1A (0.36) CA1CA2ADH1BADH1AMTNR1A
SCHEMBL9716425 0.73 PNMT (0.50)
SCHEMBL28143456 0.72 PRCP (0.44)
SCHEMBL433595 0.71 GRIN2B (0.52) CA1CA2MTNR1AMTNR1BGRIN2B
SCHEMBL8613628 0.71 GRIN2B (0.53) CA1CA2MTNR1AMTNR1BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
CN-108558665-A A kind of method that the catalysis of excited by visible light disulfide prepares Alpha-hydroxy-beta-dicarbonyl compound 大连理工大学 2018-09-21 CN disclosed
WO-2018129393-A1 MU OPIOID RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-12 WO disclosed
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed
US-5030652-A Thromboxane A2 antagonists TANABE SEIYAKU CO., LTD. (JP) 1991-07-09 US disclosed
US-5006561-A Indane sulfonamide anti-arrhythmic agents and use PFIZER INC. (US) 1991-04-09 US disclosed
EP-0286277-B1 ANTIARRYTHMIC AGENTS Pfizer Limited (GB) 1990-06-20 EP disclosed
EP-0317321-A2 Indan derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1989-05-24 EP disclosed
US-4829071-A Quinolyl substituted indane sulfonamides and their use as anti-arrhythmic agents PFIZER INC. (US) 1989-05-09 US disclosed
EP-0286277-A1 Antiarrythmic agents Pfizer Limited (GB) 1988-10-12 EP disclosed
EP-0286278-A1 Indanamine derivatives useful as antiarrhythmic agents Pfizer Limited (GB) 1988-10-12 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 (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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 CA1 1164/4885CA2 1117/4885ADH1B 1672/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 CA1 1164/4885CA2 1117/4885ADH1B 1672/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA CA1 2797/4885CA2 2344/4885ADH1B 492/4885

“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.