SCHEMBL1726796

SCHEMBL1726796

Clc1cccc2c1C=Nc1ccccc1S2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.56
GPR84 Q9NQS5 1/20 0.39
BACE1 P56817 1/20 0.36
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
DRD2 P14416 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL89481 0.80 TRPA1 (0.55) TRPA1BACE1
SCHEMBL1568752 0.78 TRPA1 (0.49) TRPA1BACE1LMNADRD2CHRM2
SCHEMBL6261481 0.75 TRPA1 (0.45) TRPA1LMNADRD2CHRM2HTR1A
SCHEMBL5577001 0.74 TRPA1 (0.51) TRPA1BACE1SLC6A2HTR2CSLC6A3
SCHEMBL6261487 0.73 TRPA1 (0.43) TRPA1LMNADRD2CHRM2HTR1A
SCHEMBL15569954 0.73 TRPA1 (0.43) TRPA1LMNATSHRBCHE
Dibenzo[B,F][1,4]Thiazepine SCHEMBL696578 0.72 TRPA1 (1.00) TRPA1GPR84BACE1DRD2SLC6A2
SCHEMBL4145291 0.72 POLB (0.44) TRPA1
SCHEMBL311435 0.72 TRPA1 (0.55) TRPA1LMNATSHRHTR2CHTR2B
SCHEMBL1132785 0.71 TRPA1 (0.44) TRPA1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010001407-A2 SYNTHESIS OF 11-(4-[2-(2-HYDROXYETHOXY)ETHYL]- PIPERAZINYL)DIBENZO[B,F][1,4]THIAZEPINE AND ITS FUMARATE SALT INOGENT LABORATORIES PRIVATE LIMITED (IN) 2010-01-07 WO claimed
WO-2006135544-A1 SYNTHESIS OF 11-(4[-(2-HYDROXYETHOXY)ETHYL]-PIPERAZINYL)-DIBENZO[b,f][1,4]THIAZEPINE AND ITS FUMARATE SALT CAMBREX CHARLES CITY, INC. (US) 2006-12-21 WO claimed
EP-2888257-A1 HAPTENS OF QUETIAPINE FOR USE IN IMMUNOASSAYS Janssen Pharmaceutica, N.V. (BE) 2015-07-01 EP disclosed
WO-2014031600-A1 HAPTENS OF QUETIAPINE FOR USE IN IMMUNOASSAYS JANSSEN PHARMACEUTICA NV (BE) 2014-02-27 WO disclosed
EP-2403841-A1 PROCESS FOR THE PREPARATION OF QUETIAPINE FUMARATE Ranbaxy Laboratories Limited (IN) 2012-01-11 EP disclosed
EP-2245021-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE Fermion Oy (FI) 2010-11-03 EP disclosed
WO-2010100623-A1 PROCESS FOR THE PREPARATION OF QUETIAPINE FUMARATE RANBAXY LABORATORIES LIMITED (IN) 2010-09-10 WO disclosed
WO-2010033270-A1 DIBENZOTHIAZEPINE MODULATORS OF DOPAMINE, ALPHA ADRENERGIC, AND SEROTONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 WO disclosed
EP-2144892-A2 IMPROVED PROCESS FOR PREPARING QUETIAPINE FUMARATE Teva Pharmaceutical Industries Ltd. (IL) 2010-01-20 EP disclosed
WO-2010001407-A2 SYNTHESIS OF 11-(4-[2-(2-HYDROXYETHOXY)ETHYL]- PIPERAZINYL)DIBENZO[B,F][1,4]THIAZEPINE AND ITS FUMARATE SALT INOGENT LABORATORIES PRIVATE LIMITED (IN) 2010-01-07 WO disclosed
EP-2124957-A1 METHODS OF TREATING MOOD DISORDERS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2009095529-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2009-08-06 WO disclosed
WO-2008121415-A2 IMPROVED PROCESS FOR PREPARING QUETIAPINE FUMARATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-09 WO disclosed
US-20080241949-A1 Process for preparing quetiapine fumarate TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2008-10-02 US disclosed
WO-2008116144-A1 METHODS OF TREATING MOOD DISORDERS ASTRAZENECA AB (SE) 2008-09-25 WO disclosed
EP-1951258-A2 LIQUID FORMULATIONS AstraZeneca AB (SE) 2008-08-06 EP disclosed
WO-2007062339-A2 LIQUID FORMULATIONS ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
WO-2006135544-A1 SYNTHESIS OF 11-(4[-(2-HYDROXYETHOXY)ETHYL]-PIPERAZINYL)-DIBENZO[b,f][1,4]THIAZEPINE AND ITS FUMARATE SALT CAMBREX CHARLES CITY, INC. (US) 2006-12-21 WO disclosed
WO-2006135544-A1 SYNTHESIS OF 11-(4[-(2-HYDROXYETHOXY)ETHYL]-PIPERAZINYL)-DIBENZO[b,f][1,4]THIAZEPINE AND ITS FUMARATE SALT CAMBREX CHARLES CITY, INC. (US) 2006-12-21 WO disclosed
EP-0282236-A1 Process for the preparation of a thiazepine compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-14 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-20080241949-A1 Process for preparing quetiapine fumarate CYP3A5, CYP3A4, FH TRPA1 3892/4885GPR84 3168/4885BACE1 432/4885

“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.