SCHEMBL88348

SCHEMBL88348

NC1=Nc2ccccc2Sc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.57
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
DRD2 P14416 6/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
NPY5R Q15761 1/20 0.43
TRPA1 O75762 1/20 0.41
LMNA P02545 2/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CHRM3 P20309 2/20 0.38
DRD1 P21728 2/20 0.38
HTR2A P28223 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
Hydrochloric Acid SCHEMBL1772740 0.98 BACE1 (0.56) BACE1CYP1A2CYP2D6DRD2KDM4E
SCHEMBL7411503 0.82 BACE1 (0.51) BACE1CYP1A2CYP2D6DRD2KDM4E
SCHEMBL7418163 0.77 BACE1 (0.46) BACE1CYP1A2CYP2D6DRD2KDM4E
SCHEMBL12844946 0.76 DRD2 (0.47) BACE1DRD2NPY5RTRPA1LMNA
SCHEMBL8470 0.76 DRD2 (0.47) BACE1DRD2MAPTNPY5RTRPA1
SCHEMBL20829220 0.76 DRD2 (0.47) BACE1DRD2NPY5RTRPA1LMNA
SCHEMBL12778506 0.76 DRD2 (0.47) BACE1DRD2NPY5RTRPA1LMNA
SCHEMBL85731 0.76 DRD2 (0.47) BACE1DRD2KDM4EMAPTRECQL
SCHEMBL5577003 0.76 NPY5R (0.40) BACE1CYP1A2CYP2D6DRD2KDM4E
SCHEMBL20708485 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420807-B2 Process for the preparation of quetiapine FERMION OY (FI) 2013-04-16 US claimed
EP-2245021-B1 A PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2012-09-12 EP claimed
US-20110112290-A1 PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2011-05-12 US claimed
EP-2245021-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE Fermion Oy (FI) 2010-11-03 EP claimed
WO-2009095529-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2009-08-06 WO claimed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
CN-103304515-A Method for preparing 11-amino dibenzo [b, f] [1,4] thiazepine UNIV EAST CHINA NORMAL 2013-09-18 CN disclosed
US-8420807-B2 Process for the preparation of quetiapine FERMION OY (FI) 2013-04-16 US disclosed
US-8420807-B2 Process for the preparation of quetiapine FERMION OY (FI) 2013-04-16 US disclosed
US-8420807-B2 Process for the preparation of quetiapine FERMION OY (FI) 2013-04-16 US disclosed
US-8420807-B2 Process for the preparation of quetiapine FERMION OY (FI) 2013-04-16 US disclosed
EP-2245021-B1 A PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2012-09-12 EP disclosed
US-20090082334-A1 DEUTERIUM-ENRICHED QUETIAPINE PROTIA, LLC (US) 2009-03-26 US disclosed
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS ) (FR) 2007-02-08 US disclosed
WO-2007004234-A1 A PROCESS FOR THE PREPARATION OF 2-[2-(4-DIBENZO[b,f] [L,4] THIAZEPIN-11-yl-1- PIPERAZINYL)ETHOXY] ETHANOL FUMARATE USV LIMITED (IN) 2007-01-11 WO disclosed
EP-1551992-B1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NAT RECH SCIENT (FR) 2006-12-27 EP disclosed
US-20060172337-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-08-03 US disclosed
WO-2005028457-A1 PREPARATION OF QUETIAPINE FERMION OY (FI) 2005-03-31 WO disclosed
WO-2005028457-A1 PREPARATION OF QUETIAPINE FERMION OY (FI) 2005-03-31 WO disclosed
WO-2005028457-A1 PREPARATION OF QUETIAPINE FERMION OY (FI) 2005-03-31 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 (3 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-20110112290-A1 PROCESS FOR THE PREPARATION OF QUETIAPINE CYP3A5, QDPR, HTR5A BACE1 330/4885CYP1A2 34/4885CYP2D6 8/4885
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules ATXN2L, ATXN10, CLN6 BACE1 2428/4885CYP1A2 4312/4885CYP2D6 1782/4885
US-20090082334-A1 DEUTERIUM-ENRICHED QUETIAPINE SLC6A3, SLC6A4, SLC6A2 BACE1 643/4885CYP1A2 877/4885CYP2D6 123/4885

“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.