SCHEMBL3006973

SCHEMBL3006973

c1ccc(COc2ccc(CCc3ccc(OCCN4CCCC4)cn3)nn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.65
HTT P42858 2/20 0.54
HRH3 Q9Y5N1 2/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KCNH2 Q12809 2/20 0.47
MCHR1 Q99705 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPY1R P25929 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
SCHEMBL2997749 0.90 LTA4H (0.67) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL3011066 0.86 LTA4H (0.55) LTA4HHTTHRH3KDM4ESMN1; SMN2
SCHEMBL13213110 0.85 LTA4H (0.63) LTA4HHTTHRH3MCHR1
SCHEMBL13213294 0.84 HRH3 (0.52) LTA4HHRH3SMN1; SMN2MCHR1ALDH1A1
SCHEMBL2998200 0.82 FFAR1 (0.43) LTA4HHTTNPC1RAB9AKDM4E
SCHEMBL3007724 0.79 MCHR1 (0.51) LTA4HHRH3SMN1; SMN2MCHR1ALDH1A1
SCHEMBL3009333 0.78 LTA4H (0.65) LTA4HHRH3MCHR1
Trifluoroacetic Acid SCHEMBL3003563 0.78 LTA4H (0.53) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL3006052 0.77 FFAR1 (0.39) LTA4HHTTNPC1RAB9ASMN1; SMN2
SCHEMBL2476820 0.76 LTA4H (1.00) LTA4HHTTHRH3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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 (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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R LTA4H 2623/4885HTT 1601/4885HRH3 119/4885

“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.