SCHEMBL2320108

SCHEMBL2320108

Cc1cc(Br)cnc1NC(=O)CN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 2/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
RAD52 P43351 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL2322326 0.81 MEN1 (0.52) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL2321154 0.78 MEN1 (0.46) ALDH1A1GAARAB9AKMT2AMEN1
SCHEMBL7933385 0.77 ALDH1A1 (0.44) ALDH1A1GAARAB9AKMT2AMEN1
SCHEMBL2325843 0.77 ALDH1A1 (0.47) ALDH1A1GAARAB9AKMT2AMEN1
SCHEMBL25249356 0.75 L3MBTL1 (0.47) ALDH1A1GAARAB9AKMT2AMEN1
SCHEMBL31020123 0.75 L3MBTL1 (0.47) ALDH1A1GAARAB9AKMT2AMEN1
SCHEMBL25366886 0.75 NPC1 (0.49) ALDH1A1GAARAB9APOLBKDM4E
SCHEMBL12441335 0.74 MEN1 (0.52) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL31241017 0.74 RAB9A (0.58) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL2323316 0.74 ACHE (0.50) KMT2AMEN1TDP1TSHR

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 ALDH1A1 3188/4885GAA 361/4885RAB9A 4067/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R ALDH1A1 2991/4885GAA 469/4885RAB9A 4079/4885

“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.