SCHEMBL10131046

SCHEMBL10131046

CC(=O)N1CC2CC2(c2ccc(N3CCOCC3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
PRKDC P78527 1/20 0.41
AKR1C3 P42330 4/20 0.40
CASP6 P55212 1/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 5/20 0.39
ATM Q13315 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 3/20 0.39
EPHX2 P34913 1/20 0.39
GSK3B P49841 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL10132389 0.89 CYP2C19 (0.43) MGLLCASP6GFERMAPTKDM4E
SCHEMBL16215112 0.88 MGLL (0.40) MGLLAKR1C3MAPTKDM4EEPHX2
SCHEMBL10131085 0.87 MAPT (0.41) MGLLPRKDCAKR1C3MAPTKDM4E
SCHEMBL10131061 0.85 MAPT (0.46) MGLLAKR1C3MAPTKDM4ERAB9A
SCHEMBL9951786 0.84 GPR119 (0.49) MGLLMAPTALDH1A1
SCHEMBL2713151 0.84 GPR119 (0.49) MGLLMAPTALDH1A1
SCHEMBL16215124 0.80 DRD2 (0.43) MAPTKDM4ERAB9AALDH1A1ALOX15
SCHEMBL10130983 0.80 DRD2 (0.43) MAPTKDM4ERAB9AALDH1A1ALOX15
SCHEMBL11617078 0.80 MGLL (0.56) MGLL
SCHEMBL11612351 0.80 MGLL (0.45) MGLL

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-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
EP-2445887-B1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 MGLL 4807/4885PRKDC 2560/4885AKR1C3 103/4885

“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.