SCHEMBL1679331

SCHEMBL1679331

CCCCNC(=O)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.70
GNAI3 P08754 3/20 0.64
GNAO1 P09471 3/20 0.64
GNAI1 P63096 3/20 0.64
GAA P10253 1/20 0.59
KDM4E B2RXH2 2/20 0.54
PRCP P42785 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
THRB P10828 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 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
SCHEMBL377246 0.94 NAAA (0.79) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL12650953 0.92 NAAA (0.62) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL19093034 0.92 NAAA (0.62) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL1678750 0.92 NAAA (0.83) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL8690057 0.92 NAAA (0.77) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL2736687 0.92 NAAA (0.83) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL9511929 0.92 NAAA (0.83) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL2639022 0.90 NAAA (0.86) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL6359440 0.90 NAAA (0.86) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL8594845 0.89 NAAA (0.58) NAAAGNAI3GNAO1GNAI1GAA

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
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US claimed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US claimed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
EP-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 US disclosed
US-9346808-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-24 US disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-7495009-B2 Imidazopyridine derivatives as melancortin receptor agonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-7495009-B2 Imidazopyridine derivatives as melancortin receptor agonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO 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 (10 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI NAAA 1045/4885GNAI3 1878/4885GNAO1 2401/4885
US-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P NAAA 4643/4885GNAI3 370/4885GNAO1 3328/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 NAAA 3625/4885GNAI3 158/4885GNAO1 1539/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 NAAA 2958/4885GNAI3 232/4885GNAO1 1414/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 NAAA 2965/4885GNAI3 224/4885GNAO1 1399/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 NAAA 287/4885GNAI3 717/4885GNAO1 143/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 NAAA 3334/4885GNAI3 245/4885GNAO1 1349/4885
US-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 NAAA 4519/4885GNAI3 755/4885GNAO1 1858/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 NAAA 2955/4885GNAI3 241/4885GNAO1 1403/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 NAAA 4495/4885GNAI3 2801/4885GNAO1 735/4885

“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.