SCHEMBL5970747

SCHEMBL5970747

CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
GPR119 Q8TDV5 8/20 0.52
PDE4B Q07343 3/20 0.50
PDE4D Q08499 3/20 0.50
PDE4A P27815 2/20 0.50
PDE4C Q08493 2/20 0.50
KDM1A O60341 1/20 0.45
KCNH2 Q12809 1/20 0.44
TOP2A P11388 1/20 0.43

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
SCHEMBL5865096 0.88 ALDH1A1 (0.52) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL4465377 0.88 ALDH1A1 (0.54) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL5864756 0.87 ALDH1A1 (0.53) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL31216598 0.87 GPR119 (0.64) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL31216608 0.87 GPR119 (0.64) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL2255441 0.87 GPR119 (0.64) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL2814379 0.87 PDE4B (0.63) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL20695970 0.86 ALDH1A1 (0.54) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL5864921 0.85 GPR119 (0.52) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL5865097 0.85 ALDH1A1 (0.51) ALDH1A1LMNAMAPTGPR119PDE4B

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-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 EP disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP 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-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 ALDH1A1 1918/4885LMNA 1709/4885MAPT 4879/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 ALDH1A1 1987/4885LMNA 1715/4885MAPT 4879/4885

“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.