SCHEMBL2729166

SCHEMBL2729166

O=C1NCCCCC1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.55
CRBN Q96SW2 1/20 0.55
POLB P06746 1/20 0.51
HSD11B1 P28845 1/20 0.47
CTSD P07339 5/20 0.46
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
GBA1 P04062 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL5755963 0.95 DDB1 (0.57) DDB1CRBNPOLBHSD11B1CTSD
Hydrochloric Acid SCHEMBL15650706 0.93 DDB1 (0.55) DDB1CRBNPOLBHSD11B1CTSD
SCHEMBL837901 0.88 DDB1 (0.60) DDB1CRBNPOLBHSD11B1CTSD
SCHEMBL5755256 0.84 PSEN1 (0.46) DDB1CRBNPOLBCTSDPSEN1
SCHEMBL31300159 0.84 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8186635 0.82 ESR1 (0.48) DDB1CRBN
SCHEMBL7174784 0.82 CTSD (0.47) CTSD
SCHEMBL28025688 0.80 PSEN1 (0.49) CRBNPOLBPSEN1PSEN2APH1B
SCHEMBL6979837 0.80 POLB (0.51) DDB1CRBNPOLBHSD11B1CTSD
SCHEMBL27551339 0.79 EPHX1 (0.40) CRBNPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105026409-B Monokaryon ruthenium complex and the organic synthesis for having used the monokaryon ruthenium complex 国立大学法人九州大学 2018-12-11 CN disclosed
CN-103102519-B Rubber composition for tire tread and use its pneumatic tire 横滨橡胶株式会社 2018-06-01 CN disclosed
CN-105026410-B Monokaryon iron complex and the organic synthesis for having used the monokaryon iron complex 国立大学法人九州大学 2018-04-17 CN disclosed
CN-105722909-B Pneumatic tire 住友橡胶工业株式会社 2018-04-06 CN disclosed
EP-2632900-A2 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130203735-A1 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
WO-2012058128-A2 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-1885775-A1 ENHANCING INTERACTIVITY BETWEEN AMINE-FUNCTIONALIZED POLYMERS AND PARTICULATE FILLERS Bridgestone Corporation (JP) 2008-02-13 EP disclosed
WO-2006128158-A1 ENHANCING INTERACTIVITY BETWEEN AMINE-FUNCTIONALIZED POLYMERS AND PARTICULATE FILLERS BRIDGESTONE CORPORATION (JP) 2006-11-30 WO disclosed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP disclosed
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 US disclosed
EP-0435387-A1 Piperidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-07-03 EP disclosed
EP-0354377-A2 Process for the preparation of aromatic polyether ketones BAYER AG (DE) 1990-02-14 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 (1 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-20130203735-A1 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS GRM5, GRIK5, GRM1 DDB1 3827/4885CRBN 2958/4885POLB 4661/4885

“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.