SCHEMBL2322326

SCHEMBL2322326

C#Cc1cnc(NC(=O)CN2CCCC2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
RAB9A P51151 4/20 0.48
RAD52 P43351 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 2/20 0.43
ALOX15 P16050 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL2321154 0.85 MEN1 (0.46) MEN1KMT2APOLBRAB9ARAD52
SCHEMBL2320108 0.81 ALDH1A1 (0.56) MEN1KMT2APOLBRAB9ARAD52
SCHEMBL2319739 0.76 ACHE (0.47) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL2322843 0.76 MCHR1 (0.51) MEN1KMT2AALDH1A1
SCHEMBL12441335 0.71 MEN1 (0.52) MEN1KMT2APOLBRAB9ARAD52
SCHEMBL25620144 0.68 MEN1 (0.81) MEN1KMT2APOLBRAB9ARAD52
Pyrrocaine SCHEMBL25718 0.67 MEN1 (0.70) MEN1KMT2APOLBRAB9ARAD52
SCHEMBL17450652 0.67 RAB9A (0.57) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL2096761 0.66 MEN1 (0.73) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL22407740 0.66 MEN1 (0.73) MEN1KMT2APOLBRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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

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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 MEN1 1049/4885KMT2A 1110/4885POLB 4520/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R MEN1 1190/4885KMT2A 1095/4885POLB 4458/4885

“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.