SCHEMBL2227387

SCHEMBL2227387

CC(=O)N1CCC2c3cc([N+](=O)[O-])ccc3OC2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.44
CHRNA3 P32297 4/20 0.44
OPRM1 P35372 2/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
HIF1A Q16665 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
RAB9A P51151 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL2227864 0.82 OPRM1 (0.44) CHRNB4CHRNA3OPRM1BAZ2B
SCHEMBL2223225 0.81 OPRM1 (0.43) OPRM1
SCHEMBL2225619 0.79 F11 (0.46) OPRM1ALDH1A1HPGDLMNAMAPT
SCHEMBL12518726 0.71 ALDH1A1 (0.47) ALDH1A1LMNAMAPTGAA
SCHEMBL12517210 0.71 HTR6 (0.56)
SCHEMBL25174157 0.71 OPRM1 (0.44) OPRM1ALDH1A1LMNARAB9AGAA
SCHEMBL16551549 0.70 ALDH1A1 (0.43) ALDH1A1HPGDLMNAMAPTGAA
SCHEMBL9835121 0.69 HTR1A (0.44) ALDH1A1HPGDLMNAHIF1ABAZ2B
SCHEMBL25951586 0.69 CHRNB4 (0.57) CHRNB4CHRNA3ALDH1A1HPGDLMNA
SCHEMBL13836477 0.67 F11 (0.46) OPRM1ALDH1A1LMNAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516445-B1 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON INC (US) 2015-03-11 EP disclosed
US-8765779-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2014-07-01 US disclosed
US-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-22 US disclosed
EP-2516445-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Cephalon, Inc. (US) 2012-10-31 EP disclosed
WO-2011087712-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 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-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP3A43, CYP3A7, CYP2C19 CHRNB4 2473/4885CHRNA3 1601/4885OPRM1 87/4885

“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.