SCHEMBL5857322

SCHEMBL5857322

CCOC(=O)CN1CC2CC1CN2Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 3/20 0.45
SIGMAR1 Q99720 3/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL11777177 0.84 ALDH1A1 (0.47) LTA4HALDH1A1SIGMAR1CHRM2CHRM4
SCHEMBL8695503 0.84 ALDH1A1 (0.47) LTA4HALDH1A1SIGMAR1CHRM2CHRM4
SCHEMBL8700852 0.84 ALDH1A1 (0.47) LTA4HALDH1A1SIGMAR1CHRM2CHRM4
SCHEMBL1367720 0.77 ALDH1A1 (0.48) TSHRLTA4HALDH1A1MEN1KMT2A
SCHEMBL20328234 0.77 SIGMAR1 (0.51) SIGMAR1
SCHEMBL12356590 0.75 LTA4H (0.53) LTA4HSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL18711752 0.75 LTA4H (0.53) LTA4HSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL11147455 0.75 MEN1 (0.55) ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL5041382 0.75 SIGMAR1 (0.47) LTA4HSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL5775155 0.75 SIGMAR1 (0.47) LTA4HSIGMAR1CHRM2CHRM4CHRM5

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-7101890-B2 Benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2006-09-05 US disclosed
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2004-04-08 US disclosed
US-6638925-B2 In particular benzofuro(3a,3,2,ef)(2)benzazepin; treatment of Alzheimer's disease and related dementia conditions, Langdon-Down syndrome SANOCHEMIA LTD. (MT) 2003-10-28 US disclosed
US-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS SANOCHEMIA LTD. (MT) 2003-05-15 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 (2 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-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS PSEN2, BACE2, BACE1 TSHR 4824/4885LTA4H 2248/4885ALDH1A1 2241/4885
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs BACE2, PSEN2, BACE1 TSHR 4650/4885LTA4H 1599/4885ALDH1A1 1803/4885

“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.