SCHEMBL5155292

SCHEMBL5155292

CN(Cc1ccc(C#Cc2ccc3cc(-c4ccc(Cl)cc4)ccc3n2)cc1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
CCR2 P41597 1/20 0.37
BACE1 P56817 1/20 0.37
ENPP2 Q13822 3/20 0.36
HDAC1 Q13547 1/20 0.35
ACACB O00763 1/20 0.35
MCHR1 Q99705 3/20 0.35
ADK P55263 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL6381920 0.81 MCHR1 (0.39) HRH3BACE1ENPP2HDAC1MCHR1
SCHEMBL2325485 0.73 MCHR1 (0.54) NPC1RAB9AHRH3HRH4BACE1
SCHEMBL5154531 0.73 MCHR1 (0.35) BACE1ACACBMCHR1CHRM1HTR2A
SCHEMBL31429036 0.70 HRH3 (0.44) NPC1RAB9ALMNAHRH3HRH4
SCHEMBL2322808 0.69 BACE1 (0.46) BACE1MCHR1CHRM1HTR2A
SCHEMBL13163603 0.69 NPC1 (0.45) NPC1RAB9ALMNAHRH3HRH4
SCHEMBL31428702 0.66 NPC1 (0.39) NPC1RAB9ALMNAHRH3HRH4
SCHEMBL2322357 0.65 MCHR1 (0.71) MCHR1CHRM1HTR2A
SCHEMBL13887346 0.65 MCHR1 (0.41) MCHR1ADKCHRM1HTR2A
SCHEMBL5204989 0.64 CCR2 (0.59) CCR2HDAC1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 US claimed
EP-1740572-A1 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-10 EP disclosed
WO-2005103031-A1 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 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 (1 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-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, GPR119 NPC1 877/4885RAB9A 3535/4885LMNA 2571/4885

“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.