SCHEMBL4485187

SCHEMBL4485187

Brc1ccc(NC[C@@H]2CCCN2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
IDO1 P14902 5/20 0.48
TDO2 P48775 5/20 0.48
LTA4H P09960 1/20 0.44
DPP4 P27487 1/20 0.44
HTR6 P50406 2/20 0.42
PRKCI P41743 2/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP3K8 P41279 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL4468927 0.83 LTA4H (0.44) IDO1TDO2LTA4HHTR6PRKCI
SCHEMBL10839151 0.83 LTA4H (0.44) IDO1TDO2LTA4HHTR6PRKCI
SCHEMBL1116569 0.83 LTA4H (0.52) LTA4HHTR6IRAK4
SCHEMBL3329262 0.83 LTA4H (0.52) LTA4HHTR6IRAK4
SCHEMBL1116568 0.83 LTA4H (0.52) LTA4HHTR6IRAK4
SCHEMBL14416942 0.81 PRKCI (0.51) IDO1TDO2LTA4HPRKCI
SCHEMBL14409567 0.81 PRKCI (0.51) IDO1TDO2LTA4HPRKCI
SCHEMBL14416943 0.81 PRKCI (0.51) IDO1TDO2LTA4HPRKCI
SCHEMBL4654443 0.81 LTA4H (0.51) LTA4HHTR6IRAK4
SCHEMBL1751545 0.81 LTA4H (0.51) LTA4HHTR6IRAK4

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-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 FPR3 408/4885FPR2 584/4885IDO1 684/4885

“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.