SCHEMBL3002707

SCHEMBL3002707

OC1CCN(Cc2ccc(CCc3ccc(OCC4CCCCO4)nn3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.49
HTR2A P28223 4/20 0.44
CHRM1 P11229 1/20 0.41
HRH3 Q9Y5N1 6/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 2/20 0.38
DRD4 P21917 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
SCHEMBL2994086 0.92 HRH3 (0.47) MCHR1CHRM1HRH3NPC1DRD4
SCHEMBL3006201 0.79 HPGD (0.41) RAB9AMEN1KMT2ANPC1
SCHEMBL13213000 0.77 MCHR1 (0.61) MCHR1HTR2ACHRM1RAB9AMEN1
SCHEMBL3003570 0.77 MCHR1 (0.66) MCHR1HTR2ACHRM1HRH3RAB9A
SCHEMBL2996636 0.76 MCHR1 (0.52) MCHR1HTR2ACHRM1HRH3RAB9A
SCHEMBL3006769 0.74 MCHR1 (0.61) MCHR1HTR2ACHRM1RAB9AMEN1
SCHEMBL13212996 0.74 MCHR1 (0.54) MCHR1HTR2ACHRM1HRH3RAB9A
SCHEMBL13212992 0.73 MCHR1 (0.63) MCHR1HTR2ACHRM1RAB9ANPC1
Trifluoroacetic Acid SCHEMBL3005955 0.73 MCHR1 (0.58) MCHR1HTR2ACHRM1RAB9AACHE
SCHEMBL23530302 0.73 POLB (0.41) RAB9AMEN1ALDH1A1KMT2ANPC1

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 MCHR1 1/4885HTR2A 71/4885CHRM1 74/4885

“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.