SCHEMBL2998090

SCHEMBL2998090

CC1(O)CCN(Cc2ccc(C(=O)Cc3ccc(OCc4ccccc4)nn3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 1/20 0.40
S1PR5 Q9H228 2/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL14155787 0.80 ACHE (0.53) MCHR1BCHEACHEHRH3DRD2
SCHEMBL2999396 0.77 MCHR1 (0.46) MCHR1HRH3DRD3CYP2D6TSHR
SCHEMBL1369385 0.77 MCHR1 (0.54) MCHR1HRH3CYP2D6CYP3A4CYP2C19
SCHEMBL3002921 0.77 NPC1 (0.42) MCHR1HRH3MMP1MMP9MMP13
SCHEMBL3002726 0.76 MCHR1 (0.45) MCHR1HRH3
SCHEMBL3002606 0.75 MCHR1 (0.44) MCHR1HRH3CYP2D6TSHRCHRM2
SCHEMBL15310239 0.72 MCHR1 (0.73) MCHR1
SCHEMBL653329 0.71 OPRL1 (0.67) ACHECYP2D6TSHRCYP3A4CYP2C19
SCHEMBL2278775 0.70 GAA (0.49) DRD2DRD4DRD3CYP2D6TSHR
SCHEMBL13213088 0.69 CHRNA7 (0.41) HRH3

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 MCHR1 1/4885BCHE 2412/4885ACHE 2796/4885

“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.