SCHEMBL2375779

SCHEMBL2375779

O=C1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
DRD2 P14416 5/20 0.45
DRD4 P21917 5/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
TP53 P04637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C19 P33261 2/20 0.45
HRH2 P25021 3/20 0.44
HRH1 P35367 3/20 0.44
HRH4 Q9H3N8 3/20 0.44
ADRB2 P07550 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
HTR1A P08908 2/20 0.44

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
SCHEMBL11577256 0.89 HPGD (0.45) HPGDL3MBTL1MAOBMAOADRD2
SCHEMBL11564826 0.88 MAPK1 (0.47) HPGDL3MBTL1MAOBMAOADRD2
SCHEMBL4427203 0.81 MAOA (0.61) HPGDMAOBMAOACYP1A2CYP3A4
SCHEMBL5642473 0.81 MAOB (0.48) HPGDL3MBTL1MAOBMAOAMEN1
SCHEMBL10844098 0.81 AHR (0.49) HPGDL3MBTL1MAOBMAOATDP1
SCHEMBL10462362 0.81 MAOB (0.52) HPGDL3MBTL1MAOBMAOADRD2
SCHEMBL8815141 0.80 MAOA (0.65) MAOBMAOADRD2DRD4CYP1A2
SCHEMBL11577383 0.79 HRH4 (0.46) HPGDL3MBTL1MAOBMAOAHRH4
SCHEMBL1988800 0.78 CYP2C9 (0.45) HPGDL3MBTL1MAOBMAOATDP1
SCHEMBL10646312 0.78 HRH4 (0.45) HPGDL3MBTL1HRH4ARLMNA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2013-11-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US disclosed
US-20050148577-A1 1-oxa-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US disclosed
US-20050130956-A1 1-oxa 3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US disclosed
US-5140027-A Antidepressants, analgesics and anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-18 US disclosed
US-4943571-A ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS HOECHST-ROUSSEL PHAMRACEUTICALS INC. (US) 1990-07-24 US disclosed
US-4837227-A ANALGESICS, ANTIDEPRESSANTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-06-06 US disclosed
EP-0148417-B1 Analgesic dibenz[b,f]oxepins, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-01-20 EP disclosed
EP-0148417-A1 Analgesic dibenz[b,f]oxepins, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-07-17 EP disclosed
US-4496582-A Analgesic dibenz[b,f]oxepins HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-01-29 US disclosed
EP-0002508-B1 AMINOALKYLTHIODIBENZOXEPINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-31 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 (5 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-20050148577-A1 1-oxa-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1B, IL1A HPGD 141/4885L3MBTL1 1687/4885MAOB 1488/4885
US-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP HPGD 2870/4885L3MBTL1 4451/4885MAOB 681/4885
US-20050130956-A1 1-oxa 3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof TNF, IL1A, IL1B HPGD 184/4885L3MBTL1 1630/4885MAOB 1462/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP HPGD 2870/4885L3MBTL1 4451/4885MAOB 681/4885
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B HPGD 146/4885L3MBTL1 1949/4885MAOB 1805/4885

“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.