SCHEMBL4136556

SCHEMBL4136556

CN(C(=O)C(c1ccccc1)c1ccccc1)C1C2CCC1CNC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TACR1 P25103 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4136255 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL4141367 0.73 ALDH1A1 (0.40) OPRM1MEN1KMT2AALDH1A1
SCHEMBL6928584 0.73 ATM (0.55) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL7244002 0.72 CHRNB2 (0.36)
SCHEMBL11097655 0.71 CCR5 (0.46) OPRM1OPRD1OPRK1OPRL1MEN1
Diphenamide SCHEMBL1258108 0.70 ALDH1A1 (0.53) OPRM1OPRD1OPRK1OPRL1MEN1
Diphenamide SCHEMBL572567 0.70 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1MEN1
Diphenamide SCHEMBL39339 0.69 ALDH1A1 (0.55) OPRM1OPRL1MEN1KMT2ACRHBP
Diphenamide SCHEMBL9202269 0.69 ALDH1A1 (0.55) OPRM1OPRL1MEN1KMT2ACRHBP
Diphenamide SCHEMBL6910614 0.69 ALDH1A1 (0.55) OPRM1OPRL1MEN1KMT2ACRHBP

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-20090131410-A1 3-AZABICYCLOOCTANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US claimed
US-20090131410-A1 3-AZABICYCLOOCTANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
EP-1934184-A1 3 -AZABICYCLOOCTANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-06-25 EP disclosed
WO-2007039884-A1 3 -AZABICYCLOOCTANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-12 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-20090131410-A1 3-AZABICYCLOOCTANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 OPRM1 71/4885OPRD1 207/4885OPRK1 132/4885

“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.