SCHEMBL2326470

SCHEMBL2326470

Brc1ccc(N2CCC(N3CCCCC3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 15/20 0.62
L3MBTL1 Q9Y468 13/20 0.62
MBTD1 Q05BQ5 3/20 0.53
TP53BP1 Q12888 2/20 0.47
L3MBTL4 Q8NA19 1/20 0.47
CHRNA7 P36544 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL3670183 0.90 L3MBTL1 (0.53) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3523735 0.90 L3MBTL3 (0.79) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL29104019 0.88 L3MBTL3 (0.81) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL24681359 0.87 CHRNA7 (0.51) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL29965093 0.87 HRH3 (0.52) L3MBTL3L3MBTL1MBTD1CHRNA7HRH3
SCHEMBL4527840 0.83 L3MBTL3 (0.62) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5836445 0.83 L3MBTL3 (0.62) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5202381 0.81 L3MBTL3 (0.65) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL14530096 0.81 L3MBTL1 (0.65) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL6367051 0.78 HRH3 (0.43) L3MBTL3L3MBTL1CHRNA7HRH3ALDH1A1

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 8 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
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 (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 L3MBTL3 1120/4885L3MBTL1 1265/4885MBTD1 529/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R L3MBTL3 1187/4885L3MBTL1 984/4885MBTD1 379/4885

“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.