SCHEMBL256041

SCHEMBL256041

C#Cc1ccc(-c2ccc(Cl)cc2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ NOTUM Q6P988 2/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL2319116 0.75 ACACB (0.44) MCHR1ACACBNPC1RAB9AMAPT
SCHEMBL12750978 0.73 HDAC8 (0.36) —
SCHEMBL29451100 0.73 HDAC8 (0.36) —
SCHEMBL23731087 0.73 CYP1A2 (0.64) NPC1RAB9AMAPTSMN1; SMN2MAOB
SCHEMBL256008 0.73 HSD11B1 (0.48) NPC1RAB9AMAPTSMN1; SMN2CASP1
SCHEMBL256031 0.72 NPC1 (0.43) MCHR1ACACBNPC1RAB9AMAPT
SCHEMBL11998365 0.71 ACACB (0.41) MCHR1ACACBNPC1RAB9AMAPT
SCHEMBL2322615 0.71 LTA4H (0.43) MCHR1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1752781 0.69 SLC6A2 (0.50) NPC1RAB9AMAPTSMN1; SMN2CASP1
SCHEMBL15023278 0.69 RAB9A (0.40) NPC1RAB9AMAPTSMN1; SMN2CASP1

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
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 — — US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 — — EP disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — WO disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 — — EP disclosed
CN-1732154-B Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA 2010-09-08 — — CN disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 — — US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 — — US disclosed
CN-1732154-A Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA (DE) 2006-02-08 — — CN disclosed
EP-1558578-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 — — EP disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 — — US disclosed
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 — — 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 (3 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 MCHR1 1/4885ACACB 1430/4885NPC1 1259/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R MCHR1 1/4885ACACB 1356/4885NPC1 1008/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G MCHR1 3770/4885ACACB 2257/4885NPC1 139/4885

“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.

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