SCHEMBL12614652

SCHEMBL12614652

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.58
HTR4 Q13639 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MCHR1 Q99705 6/20 0.53
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL1790544 0.89 SSTR5 (0.57) SSTR5MEN1KMT2AMCHR1KDM4E
SCHEMBL1786965 0.89 MCHR1 (0.52) SSTR5MCHR1USP2POLB
SCHEMBL1787892 0.88 SSTR5 (0.55) SSTR5MCHR1POLB
SCHEMBL1787380 0.88 SSTR5 (0.55) SSTR5MEN1KMT2AMCHR1
SCHEMBL1788399 0.88 MCHR1 (0.58) SSTR5KMT2AMCHR1HDAC8HDAC6
SCHEMBL1786527 0.86 SSTR5 (0.54) SSTR5MCHR1POLB
Formic Acid SCHEMBL1785841 0.85 SSTR5 (0.52) SSTR5MCHR1POLB
SCHEMBL1787246 0.83 MCHR1 (0.54) SSTR5KMT2AMCHR1KDM4EALDH1A1
SCHEMBL1786360 0.83 SSTR5 (0.53) SSTR5MCHR1ALDH1A1POLB
SCHEMBL1787608 0.81 SSTR5 (0.58) SSTR5MCHR1

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 3 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
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
WO-2010013595-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE 萬有製薬株式会社 (JP) 2010-02-04 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 SSTR5 22/4885HTR4 94/4885MEN1 304/4885

“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.