SCHEMBL3538829

SCHEMBL3538829

[c]1nnnn1C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10974187 1.00 TSHR (0.32) TSHRALDH1A1TP53MAPT
SCHEMBL10973023 1.00 TSHR (0.32) TSHRALDH1A1TP53MAPT
SCHEMBL8625245 0.98
SCHEMBL10971498 0.93
SCHEMBL7854085 0.62
SCHEMBL7853464 0.62
SCHEMBL16633961 0.62
SCHEMBL7854677 0.59
SCHEMBL2819359 0.59
SCHEMBL27929242 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US claimed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP claimed
JP-3110467-B2 2000-11-20 JP claimed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP claimed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO claimed
US-5650422-A TREATMENT OF EMPHYSEMA, ARTHRITIS OR PANCREATITIS SANOFI (FR) 1997-07-22 US claimed
EP-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 EP claimed
US-5236917-A Respiratory system disorders, antiarthritic agents STERLING WINTHROP INC. (US) 1993-08-17 US claimed
US-5200407-A Antisecretory agents MEIJI SEIKA KABURHIKI KAISHA (JP) 1993-04-06 US claimed
US-7741354-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2010-06-22 US disclosed
US-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-08-28 US disclosed
US-6821992-B1 ESPECIALLY AGAINST FUNGAL DISEASES OF PLANTS, E.G. MILDEWS AND PARTICULARLY CEREAL POWDERY MILDEW (ERYSIPHE GRAMINIS) AND VINE DOWNY MILDEW (PLASMOPARA VITICOLA), RICE BLAST (PYRICULARIA ORYZAE), ETC. AVENTIS CROPSCIENCE S.A. (FR) 2004-11-23 US disclosed
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US 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-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL TSHR 384/4885ALDH1A1 677/4885TP53 3699/4885

“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.