SCHEMBL2885859

SCHEMBL2885859

O=C1Cc2ccccc2C2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)N1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 16/20 0.53
HTR2B P41595 1/20 0.43
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL2886740 0.92 NPY5R (0.63) NPY5R
SCHEMBL2887165 0.84 NPY5R (0.61) NPY5RTNKSTNKS2
SCHEMBL2886234 0.80 NPY5R (0.53) NPY5RHTR2B
SCHEMBL2886232 0.80 NPY5R (0.53) NPY5RHTR2B
SCHEMBL2884466 0.79 NPY5R (0.49) NPY5RHTR2BTNKSTNKS2HCRTR1
SCHEMBL2884465 0.79 NPY5R (0.51) NPY5RHTR2BTNKSTNKS2HCRTR1
SCHEMBL2889544 0.74 NPY5R (0.42) NPY5RTNKSTNKS2ADRA1A
SCHEMBL22057351 0.72 TNKS (0.76) TNKSTNKS2
SCHEMBL2884993 0.71 NPY5R (0.43) NPY5RTNKSTNKS2
SCHEMBL12891787 0.71 HRH3 (0.57) NPY5RHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 US claimed
EP-1517908-A2 NOVEL BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-03-30 EP claimed
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 US claimed
WO-2004002986-A2 NOVEL BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO claimed
EP-3124489-B1 THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2020-07-15 EP disclosed
EP-3124489-A1 THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS Fibrogen, Inc. (US) 2017-02-01 EP disclosed
EP-2016078-B1 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2016-06-15 EP disclosed
US-7803807-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-28 US disclosed
US-7696223-B2 [(2-bromo-4-hydroxy-1-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)-amino]-acetic acid; modulates the stability and/or activity of hypoxia inducible factor (HIF) FIBROGEN, INC. (US) 2010-04-13 US disclosed
US-7687514-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2010-03-30 US disclosed
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MSD K.K. (JP) 2010-02-25 US disclosed
EP-2016078-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2009-01-21 EP disclosed
US-20080004309-A1 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. 2008-01-03 US disclosed
WO-2007115315-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2007-10-11 WO disclosed
US-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 US disclosed
US-7105526-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2006-09-12 US disclosed
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 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 (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-20040054177-A1 Novel benzimidazole derivatives OPRM1, OPRK1, HTR7 NPY5R 34/4885HTR2B 45/4885TNKS 2871/4885
US-20060205750-A1 Novel benzimidazole derivatives NPY4R, NPY5R, NPY1R NPY5R 2/4885HTR2B 29/4885TNKS 4115/4885
US-20080004309-A1 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 NPY5R 2467/4885HTR2B 3514/4885TNKS 650/4885
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES NPY4R, NPY5R, NPY1R NPY5R 2/4885HTR2B 29/4885TNKS 4115/4885

“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.