SCHEMBL1789399

SCHEMBL1789399

COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.76
SLC6A12 P48065 2/20 0.66
DRD4 P21917 3/20 0.64
DRD2 P14416 2/20 0.64
DRD3 P35462 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADRA2A P08913 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
ACHE P22303 1/20 0.64
SLC6A2 P23975 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
ADRA1A P35348 1/20 0.64
OPRK1 P41145 1/20 0.64
HTR2B P41595 1/20 0.64
CHRNA4 P43681 1/20 0.64

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
SCHEMBL1788399 0.86 MCHR1 (0.58) MCHR1SLC6A12DRD4DRD2DRD3
SCHEMBL12427426 0.86 DRD4 (0.69) MCHR1SLC6A12DRD4DRD2DRD3
SCHEMBL31736417 0.86 MCHR1 (0.77) MCHR1SLC6A12DRD4CYP1A2CYP3A4
SCHEMBL11395220 0.85 MCHR1 (0.77) MCHR1SLC6A12DRD4DRD2DRD3
SCHEMBL2390512 0.84 KMT2A (0.70) MCHR1SLC6A12DRD4ACHESIGMAR1
SCHEMBL7135170 0.83 MCHR1 (0.67) MCHR1SLC6A12DRD4DRD2DRD3
SCHEMBL10107601 0.83 SLC6A12 (0.83) MCHR1SLC6A12DRD4DRD2DRD3
SCHEMBL3134120 0.83 MCHR1 (0.70) MCHR1DRD4
SCHEMBL7135174 0.82 MCHR1 (0.66) MCHR1SLC6A12DRD4DRD2DRD3
SCHEMBL1789890 0.82 MCHR1 (0.53) MCHR1DRD4DRD2DRD3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 EP 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 MCHR1 1/4885SLC6A12 679/4885DRD4 115/4885

“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.