SCHEMBL1786818

SCHEMBL1786818

COc1cc(C(=O)NC2CCN(Cc3cn(Cc4cnc(Cl)s4)c4ccccc34)CC2)cc(OC)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.49
MCHR1 Q99705 6/20 0.45
ACHE P22303 3/20 0.43
POLB P06746 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR4 Q13639 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD4 P21917 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
SCHEMBL1788399 0.87 MCHR1 (0.58) SSTR5MCHR1ACHEHTR2AHTR2C
SCHEMBL1791845 0.87 SSTR5 (0.49) SSTR5MCHR1ACHEHTR2AHTR2C
SCHEMBL1790544 0.85 SSTR5 (0.57) SSTR5MCHR1ACHEPOLBMEN1
SCHEMBL1786527 0.84 SSTR5 (0.54) SSTR5MCHR1ACHEPOLBDRD4
SCHEMBL12614652 0.81 SSTR5 (0.58) SSTR5MCHR1POLBALDH1A1HTR4
Formic Acid SCHEMBL1785841 0.81 SSTR5 (0.52) SSTR5MCHR1ACHEPOLBDRD4
SCHEMBL1787380 0.79 SSTR5 (0.55) SSTR5MCHR1ACHEMEN1KMT2A
SCHEMBL1787892 0.79 SSTR5 (0.55) SSTR5MCHR1ACHEPOLBDRD4
SCHEMBL1787956 0.75 MCHR1 (0.51) SSTR5MCHR1POLBDRD4
SCHEMBL1787608 0.75 SSTR5 (0.58) SSTR5MCHR1ACHEDRD4

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 SSTR5 22/4885MCHR1 1/4885ACHE 2306/4885

“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.