SCHEMBL1597715

SCHEMBL1597715

O=[C]N1c2ccccc2Sc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
BCHE P06276 13/20 0.52
ACHE P22303 4/20 0.48
NOX1 Q9Y5S8 1/20 0.48
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL9568253 0.80 KMT2A (0.55) MAOABCHEACHENOX1MEN1
SCHEMBL2175748 0.80
SCHEMBL1718054 0.72 MAOA (0.64) MAOABCHEACHENOX1MEN1
SCHEMBL6008164 0.69 MEN1 (0.47) MAOABCHEMEN1LMNAKMT2A
SCHEMBL3235747 0.69 MAOA (0.58) MAOABCHEACHENOX1MEN1
SCHEMBL12655447 0.69 MAOA (0.58) MAOABCHEACHENOX1MEN1
SCHEMBL8038574 0.69 MAOA (0.58) MAOABCHEACHENOX1MEN1
SCHEMBL29377505 0.69 MAOA (1.00) MAOABCHENOX1MEN1LMNA
SCHEMBL18932210 0.69 MAOA (0.58) MAOABCHEACHENOX1MEN1
SCHEMBL231247 0.69 MAOA (1.00) MAOABCHENOX1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001092240-A1 NOVEL N-SUBSTITUTED PHENOTHIAZINES AND THEIR USE AS MODULATORS OF SERINE HYDROLASE ENZYMES DALHOUSIE UNIVERSITY (CA) 2001-12-06 WO claimed
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 EP disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
EP-1749001-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-02-07 EP disclosed
WO-2005111025-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2005-11-24 WO disclosed
WO-2004082826-A3 CATALYST COMPOSITION AND METHOD FOR CHLORINATING AROMATIC COMPOUNDS GEN ELECTRIC (US) 2004-11-18 WO disclosed
WO-2004082826-A2 CATALYST COMPOSITION AND METHOD FOR CHLORINATING AROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2004-09-30 WO disclosed
WO-2001092240-A1 NOVEL N-SUBSTITUTED PHENOTHIAZINES AND THEIR USE AS MODULATORS OF SERINE HYDROLASE ENZYMES DALHOUSIE UNIVERSITY (CA) 2001-12-06 WO disclosed
US-5767141-A Substituted propane derivatives, a process for their preparation and the use of the compounds for treating diseases HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5463062-A Inhibitors of glucose-6-phosphatase system HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
US-4766125-A N-aryl-piperazinealkanamides useful for protecting hearts from myocardial injury caused by ischaemia, anoxia or hypoxia JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-23 US disclosed
EP-0068544-A2 Novel N-aryl-piperazinealkanamides JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-05 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 (1 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-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 MAOA 257/4885BCHE 1680/4885ACHE 476/4885

“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.