SCHEMBL5619360

SCHEMBL5619360

CN1CC(N)C(=O)N(C2CC2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.38
OPRM1 P35372 6/20 0.38
OPRK1 P41145 6/20 0.38
AADAT Q8N5Z0 3/20 0.36
GOT1 P17174 1/20 0.36
KYAT1 Q16773 1/20 0.36
KYAT3 Q6YP21 1/20 0.36
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
ACHE P22303 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL5619353 1.00 OPRL1 (0.38) OPRL1OPRM1OPRK1AADATGOT1
SCHEMBL4424732 0.80 GABRP (0.44) AADATGOT1KYAT1KYAT3EGFR
SCHEMBL4424739 0.80 GABRP (0.44) AADATGOT1KYAT1KYAT3EGFR
Hydrochloric Acid SCHEMBL2236937 0.79 GABRP (0.43) AADATGOT1KYAT1KYAT3EGFR
SCHEMBL4703310 0.75 CYP1A2 (0.39) OPRL1OPRM1OPRK1AADATSLC6A4
SCHEMBL4700749 0.69 NISCH (0.37) AADATSLC6A4
SCHEMBL3702120 0.69 MTNR1A (0.38) OPRM1OPRK1AADATDRD2SLC6A4
SCHEMBL23188831 0.67 MTNR1A (0.33) AADATGOT1KYAT1KYAT3EGFR
SCHEMBL4048986 0.67 GAA (0.44) AADATGOT1
SCHEMBL4048983 0.67 GAA (0.44) AADATGOT1

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-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP disclosed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 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-20050075327-A1 Carbamic acid alkyl ester derivatives BCHE, CHRM1, ADCY7 OPRL1 2529/4885OPRM1 2200/4885OPRK1 2783/4885

“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.