SCHEMBL6710015

SCHEMBL6710015

CCOC(OCC)c1cc(Cl)ccc1C(=O)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6716730 0.91 CYP11B2 (0.38) ALDH1A1LMNAKMT2AGAAMEN1
SCHEMBL6712769 0.90 MEN1 (0.38) KCNMA1LMNAKMT2AGAAALOX15
SCHEMBL6712717 0.87 ALDH1A1 (0.40) L3MBTL1ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6710179 0.85 ALDH1A1 (0.44) L3MBTL1ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6709920 0.85 MAPK14 (0.40) LMNARAB9ANPC1CYP11B1
SCHEMBL6711171 0.83 KDM4E (0.43) L3MBTL1ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6711346 0.80 MEN1 (0.44) L3MBTL1ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6712739 0.80 ALDH1A1 (0.40) L3MBTL1ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL6711516 0.80 MAPK14 (0.43) ALDH1A1POLBRECQL
SCHEMBL6712599 0.79 CES2 (0.46) ALDH1A1NPSR1KMT2AMEN1TSHR

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 KCNMA1 1506/4885L3MBTL1 3374/4885ALDH1A1 964/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 KCNMA1 1506/4885L3MBTL1 3374/4885ALDH1A1 964/4885

“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.