SCHEMBL3645477

SCHEMBL3645477

C#CCOc1cccnc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
MAOB P27338 5/20 0.44
CHRNB1 P11230 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
MAOA P21397 3/20 0.42
MAPT P10636 1/20 0.41
DCPS Q96C86 1/20 0.40
MAP4K4 O95819 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2601667 0.81 CHRNB2 (0.42) CHRNB2CHRNA4MAOBCHRNB1CHRNB4
SCHEMBL11475129 0.78 MAOB (0.44) CHRNB2CHRNA4MAOBCYP3A4CYP2A6
SCHEMBL30453732 0.78 MAOB (0.44) CHRNB2CHRNA4MAOBCYP3A4CYP2A6
SCHEMBL7394763 0.78 S1PR4 (0.46) MAOBCYP3A4CYP2A6MAOAMAPT
SCHEMBL11479292 0.78 LTA4H (0.54) MAOBCYP3A4CYP2A6MAOAMAPT
SCHEMBL8325639 0.76 ALDH1A1 (0.52) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL19616353 0.76 MAPT (0.48) MAOBCYP3A4CYP2A6MAOAMAPT
SCHEMBL31461865 0.76 ALDH1A1 (0.52) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL17672492 0.76 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL10347560 0.75 MAPT (0.56) MAOBCYP3A4CYP2A6MAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185544-B1 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2014-11-26 EP disclosed
EP-2185544-B1 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2014-11-26 EP disclosed
US-8846675-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-09-30 US disclosed
US-8846675-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-09-30 US disclosed
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2012-12-20 US disclosed
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2012-12-20 US disclosed
US-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
US-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
EP-2185544-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS Metabolex Inc. (US) 2010-05-19 EP disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 US disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 US disclosed
WO-2009014910-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 RECEPTOR FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. (US) 2009-01-29 WO disclosed
WO-2009014910-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 RECEPTOR FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. (US) 2009-01-29 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 (2 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-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R CHRNB2 591/4885CHRNA4 705/4885MAOB 993/4885
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R CHRNB2 591/4885CHRNA4 705/4885MAOB 993/4885

“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.