SCHEMBL2325504

SCHEMBL2325504

CCN(CC)CCOc1ccc(C#Cc2ccc(Br)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.69
ACACB O00763 3/20 0.46
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP1A2 P05177 1/20 0.44
LTA4H P09960 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.40
CHRNA7 P36544 1/20 0.40
KMT2A Q03164 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
SCHEMBL10430625 0.85 MCHR1 (0.53) MCHR1ACACBCYP2D6CYP2C9CYP2C19
SCHEMBL4527742 0.82 MCHR1 (0.84) MCHR1ACACBEBPSIGMAR1CYP2D6
SCHEMBL2322943 0.81 MCHR1 (1.00) MCHR1ACACBCYP2D6
SCHEMBL4515978 0.81 MCHR1 (0.81) MCHR1CYP2D6HTT
SCHEMBL4482839 0.80 MCHR1 (0.56) MCHR1ACACBCYP2D6
SCHEMBL1129242 0.79 EBP (0.62) MCHR1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL2326425 0.78 MCHR1 (0.72) MCHR1ACACBCYP2D6HTT
SCHEMBL5115917 0.77 EBP (0.60) MCHR1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL2324594 0.76 MCHR1 (0.73) MCHR1ACACBEBPCYP1A2LTA4H
SCHEMBL10970158 0.76 MCHR1 (0.91) MCHR1ACACBEBPSIGMAR1CYP1A2

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 MCHR1 1/4885ACACB 1430/4885EBP 169/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R MCHR1 1/4885ACACB 1356/4885EBP 170/4885

“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.