SCHEMBL3413434

SCHEMBL3413434

O=C1CC2CCCC(C1)N2C1CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2D6 P10635 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL852471 0.93 MAPK1 (0.52) MAPK1MEN1KMT2ACYP2D6OPRM1
SCHEMBL13177751 0.93 MAPK1 (0.52) MAPK1MEN1KMT2ACYP2D6OPRM1
SCHEMBL1849732 0.93 MAPK1 (0.52) MAPK1MEN1KMT2ACYP2D6OPRM1
SCHEMBL551494 0.93 MAPK1 (0.52) MAPK1MEN1KMT2ACYP2D6OPRM1
SCHEMBL13221771 0.93 MAPK1 (0.58) MAPK1MEN1KMT2ACYP2D6OPRM1
SCHEMBL15847688 0.93 MAPK1 (0.58) MAPK1MEN1KMT2ACYP2D6OPRM1
SCHEMBL3415585 0.92 MAPK1 (0.48) MAPK1MEN1KMT2A
SCHEMBL853901 0.81 MAPK1 (0.50) MAPK1MEN1KMT2AOPRM1OPRD1
SCHEMBL852564 0.81 MAPK1 (0.55) MAPK1MEN1KMT2AOPRM1OPRD1
SCHEMBL15004475 0.81 MAPK1 (0.55) MAPK1MEN1KMT2AOPRM1OPRD1

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A MAPK1 3131/4885MEN1 1524/4885KMT2A 822/4885

“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.