SCHEMBL6716730

SCHEMBL6716730

CCOC(OCC)c1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 2/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A4 P31645 1/20 0.37
TRPA1 O75762 1/20 0.37
CXCL12 P48061 1/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
MAPK14 Q16539 1/20 0.35
CTSB P07858 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6709920 0.94 MAPK14 (0.40) CYP11B2CYP11B1MAOBMAOAMAPK14
SCHEMBL6712769 0.91 MEN1 (0.38) CYP11B2CYP11B1MAOBMAOAKMT2A
SCHEMBL6710015 0.91 KCNMA1 (0.40) CYP11B1KMT2AMEN1TDP1NPC1
SCHEMBL6712599 0.80 CES2 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL6711516 0.77 MAPK14 (0.43) MAPK14ALDH1A1
SCHEMBL6712717 0.77 ALDH1A1 (0.40) KMT2AMEN1MAPK14NPC1ALDH1A1
SCHEMBL27442149 0.77 SMN1; SMN2 (0.48) CYP11B2CYP11B1KMT2ATRPA1MAPK14
SCHEMBL933685 0.76 DGAT1 (0.43) KMT2AMEN1SLC6A4NPC1ALDH1A1
SCHEMBL29898841 0.76 DGAT1 (0.43) KMT2AMEN1SLC6A4NPC1ALDH1A1
SCHEMBL6710179 0.74 ALDH1A1 (0.44) KMT2AMEN1NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
EP-0898566-B1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL NV (NL) 2002-11-06 EP disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
EP-0898566-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION Akzo Nobel N.V. (NL) 1999-03-03 EP disclosed
WO-1997040027-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL N.V. (NL) 1997-10-30 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 (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-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 CYP11B2 122/4885CYP11B1 213/4885MAOB 19/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 CYP11B2 122/4885CYP11B1 213/4885MAOB 19/4885

“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.