SCHEMBL3010231

SCHEMBL3010231

CN1CCN(CCc2cccc(CCc3ccc(OCc4ccccc4)nn3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
ABCB1 P08183 4/20 0.43
MCHR1 Q99705 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
FFAR1 O14842 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2993117 0.82 HRH3 (0.56) NPC1TP53RAB9AHRH4MCHR1
SCHEMBL13213333 0.82 MCHR1 (0.52) MCHR1HRH3FFAR1
SCHEMBL13213212 0.81 CHRNA7 (0.52) NPC1TP53RAB9AHRH4MCHR1
SCHEMBL2999396 0.80 MCHR1 (0.46) MCHR1HRH3SIGMAR1CYP2D6FFAR1
SCHEMBL3013572 0.80 HRH3 (0.53) HRH4MCHR1HRH3SIGMAR1CYP2D6
SCHEMBL3011066 0.80 LTA4H (0.55) MCHR1HRH3KCNH2
SCHEMBL13213294 0.79 HRH3 (0.52) MCHR1HRH3SIGMAR1CYP1A2CYP2D6
SCHEMBL3007785 0.78 CYP4F2 (0.55) ABCB1MCHR1FFAR1KCNH2
SCHEMBL3006396 0.76 CHRNA7 (0.44) NPC1TP53RAB9AHRH4MCHR1
SCHEMBL3002606 0.75 MCHR1 (0.44) MCHR1HRH3SIGMAR1CYP1A2CYP2D6

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-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
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 NPC1 2773/4885TP53 4787/4885RAB9A 4559/4885

“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.