SCHEMBL2997749

SCHEMBL2997749

c1ccc(COc2ccc(CCc3ccc(OCCN4CCCC4)cc3)nn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.67
HRH3 Q9Y5N1 2/20 0.59
HTT P42858 2/20 0.58
EPHX2 P34913 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KCNH2 Q12809 2/20 0.50
MCHR1 Q99705 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPY1R P25929 1/20 0.49

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
SCHEMBL3006973 0.90 LTA4H (0.65) LTA4HHRH3HTTNPC1RAB9A
SCHEMBL3011066 0.89 LTA4H (0.55) LTA4HHRH3HTTKDM4ESMN1; SMN2
SCHEMBL13213110 0.88 LTA4H (0.63) LTA4HHRH3HTTMCHR1
SCHEMBL3009333 0.88 LTA4H (0.65) LTA4HHRH3MCHR1
SCHEMBL7134882 0.82 LTA4H (1.00) LTA4HHRH3HTT
SCHEMBL3005962 0.82 LTA4H (0.51) LTA4HEPHX2MCHR1ALDH1A1
Trifluoroacetic Acid SCHEMBL3003563 0.81 LTA4H (0.53) LTA4HHRH3HTTEPHX2NPC1
SCHEMBL3007724 0.80 MCHR1 (0.51) LTA4HHRH3SMN1; SMN2MCHR1ALDH1A1
SCHEMBL13213294 0.80 HRH3 (0.52) LTA4HHRH3SMN1; SMN2MCHR1ALDH1A1
SCHEMBL2476820 0.79 LTA4H (1.00) LTA4HHRH3HTTNPC1RAB9A

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 2623/4885HRH3 119/4885HTT 1601/4885

“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.