SCHEMBL4171284

SCHEMBL4171284

CCc1cccc(NC(=O)C(C)(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
CHRNA4 P43681 2/20 0.51
SYK P43405 1/20 0.45
ADORA1 P30542 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ATR Q13535 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK8 P45983 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3925148 0.87 ADORA1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL10082485 0.86 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4SYK
SCHEMBL317679 0.86 ADORA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL21211527 0.86 ADORA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL10278878 0.86 ADORA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL317651 0.86 ADORA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL3935296 0.86 ADORA1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL921576 0.84 L3MBTL1 (0.54) ADORA1CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL124547 0.83 CYP1A2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ADORA1
SCHEMBL3111821 0.83 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4SYK

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO disclosed
EP-1444228-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2004-08-11 EP disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 US disclosed
WO-2003044015-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2003-05-30 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 (4 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-20090163535-A1 Substituted Heteroarylalkanoic Acids GPR119, LIPA, LIPC CHRNB2 3024/4885CHRNB4 2941/4885CHRNA3 2231/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 CHRNB2 4648/4885CHRNB4 4707/4885CHRNA3 4123/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC CHRNB2 3150/4885CHRNB4 3123/4885CHRNA3 2242/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 CHRNB2 4721/4885CHRNB4 4717/4885CHRNA3 4275/4885

“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.