SCHEMBL2319002

SCHEMBL2319002

Cc1cc(Br)cc(C)c1OCCN1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTR1A P08908 1/20 0.51
POLB P06746 1/20 0.50
LTA4H P09960 1/20 0.50
PTGS2 P35354 1/20 0.50
KDM4E B2RXH2 3/20 0.49
HTT P42858 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6996167 0.83 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL14578253 0.83 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2HTR1APOLB
SCHEMBL14578269 0.83 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2HTR1APOLB
SCHEMBL6593991 0.80 MEN1 (0.85) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL347308 0.80 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL9518234 0.78 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL9517264 0.78 ALDH1A1 (0.81) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL29777398 0.78 ALDH1A1 (0.81) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL6997524 0.77 LTA4H (0.56) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL7050856 0.77 MEN1 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2HTR1A

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 KMT2A 1110/4885MEN1 1049/4885ALDH1A1 3188/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R KMT2A 1095/4885MEN1 1190/4885ALDH1A1 2991/4885

“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.