SCHEMBL3540520

SCHEMBL3540520

CCC(CC)NC(=O)C1=CC2(CCN(C3CC4CCC3C4)CC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.33
SLC18A3 Q16572 1/20 0.32
HTT P42858 1/20 0.32
SPR P35270 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL12991280 1.00 OPRL1 (0.40) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL12991315 0.96 OPRL1 (0.36) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL3533314 0.86 OPRL1 (0.46) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL12991073 0.86 OPRL1 (0.46) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL12990965 0.84 OPRL1 (0.39) OPRL1PKMSLC18A3
SCHEMBL12991116 0.83 KDM4E (0.50) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL3536719 0.83 KDM4E (0.50) OPRL1KDM4EKMT2APKMMEN1
SCHEMBL12991021 0.83 OPRL1 (0.40) OPRL1KDM4EALDH1A1
SCHEMBL12991013 0.83 OPRL1 (0.40) OPRL1KDM4EALDH1A1
SCHEMBL3537334 0.81 OPRL1 (0.35) OPRL1NAMPT

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-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 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-20080033002-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 OPRL1 69/4885KDM4E 3396/4885KMT2A 2362/4885

“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.