SCHEMBL1784977

SCHEMBL1784977

COc1cc(C(=O)NC2CCNCC2)cc(OC)c1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
OPRK1 P41145 1/20 0.59
HTR4 Q13639 2/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RXFP1 Q9HBX9 1/20 0.55
HPGDS O60760 1/20 0.51
PKM P14618 1/20 0.50
SMYD3 Q9H7B4 5/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.47
MCHR1 Q99705 1/20 0.45

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
Hydrochloric Acid SCHEMBL1787811 0.99 MAPK1 (0.57) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL409305 0.93 MAPK1 (0.55) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL463415 0.89 MAPK1 (0.74) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL18271231 0.82 PTPN7 (0.56) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL10144490 0.82 HTR4 (0.61) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL13880649 0.79 MAPK1 (0.58) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL4415420 0.79 MAPK1 (0.55) MAPK1OPRK1HTR4HPGDSSMYD3
SCHEMBL12514758 0.78 HTR4 (0.70) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL15761009 0.78 EZH2 (0.50) MAPK1OPRK1HTR4MEN1KMT2A
SCHEMBL4590657 0.78 MEN1 (0.62) MAPK1OPRK1HTR4MEN1KMT2A

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 MAPK1 1372/4885OPRK1 142/4885HTR4 94/4885

“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.