SCHEMBL6709920

SCHEMBL6709920

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
MRGPRX1 Q96LB2 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
LMNA P02545 1/20 0.37
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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 0.94 CYP11B2 (0.38) MAPK14CYP11B1CYP11B2LMNANPC1
SCHEMBL6712769 0.88 MEN1 (0.38) CYP11B1CYP11B2LMNANPC1RAB9A
SCHEMBL6712599 0.87 CES2 (0.46) MRGPRX1CES2CES1
SCHEMBL6710015 0.85 KCNMA1 (0.40) CYP11B1LMNANPC1RAB9A
SCHEMBL6712717 0.85 ALDH1A1 (0.40) MAPK14MRGPRX1LMNACES2CES1
SCHEMBL6711516 0.82 MAPK14 (0.43) MAPK14CES2CES1
SCHEMBL6711270 0.78 TSHR (0.46) MRGPRX1CES2CES1RAB9A
SCHEMBL6711346 0.77 MEN1 (0.44) MRGPRX1LMNACES2CES1NPC1
SCHEMBL6712739 0.74 ALDH1A1 (0.40) MRGPRX1LMNACES2CES1NPC1
SCHEMBL27442149 0.74 SMN1; SMN2 (0.48) MAPK14CYP11B1CYP11B2LMNACES2

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 MAPK14 2893/4885MRGPRX1 1598/4885CYP11B1 213/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 MAPK14 2893/4885MRGPRX1 1598/4885CYP11B1 213/4885

“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.