SCHEMBL8311

SCHEMBL8311

c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 1.00
CHRM2 P08172 3/20 0.55
ADRA2A P08913 3/20 0.55
CHRM1 P11229 3/20 0.55
ADRA2B P18089 3/20 0.55
ADRA2C P18825 3/20 0.55
CHRM3 P20309 3/20 0.55
DRD1 P21728 3/20 0.55
HTR2A P28223 3/20 0.55
HTR2C P28335 3/20 0.55
ADRA1A P35348 3/20 0.55
HRH1 P35367 3/20 0.55
HTR2B P41595 3/20 0.55
KCNH2 Q12809 3/20 0.55
LMNA P02545 2/20 0.55
HTR1A P08908 2/20 0.55
OPRM1 P35372 2/20 0.55
DRD3 P35462 2/20 0.55
CHRM4 P08173 2/20 0.55
CHRM5 P08912 2/20 0.55

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
SCHEMBL29368614 1.00 DRD2 (1.00) DRD2CHRM2ADRA2ACHRM1ADRA2B
Hydrochloric Acid SCHEMBL1943859 0.99 DRD2 (0.97) DRD2CHRM2ADRA2ACHRM1ADRA2B
Hydrochloric Acid SCHEMBL8507 0.99 DRD2 (0.97) DRD2CHRM2ADRA2ACHRM1ADRA2B
Sulfuric Acid SCHEMBL4143302 0.93 DRD2 (0.87) DRD2CHRM2ADRA2ACHRM1ADRA2B
Phosphoric Acid SCHEMBL4151583 0.92 DRD2 (0.85) DRD2CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL4146089 0.91 DRD2 (0.83) DRD2CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL8022151 0.89 DRD2 (0.80) DRD2CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL11555179 0.86 DRD2 (0.76) DRD2CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL12395990 0.86 DRD2 (0.74) DRD2CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL2159879 0.86 DRD2 (0.74) DRD2CHRM2ADRA2ACHRM1ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389510-B2 Crystalline forms ASTRAZENECA AB (SE) 2013-03-05 US claimed
US-20110237568-A1 CRYSTALLINE FORMS BLACK SIMON N 2011-09-29 US claimed
US-20110144088-A1 METHOD OF TREATING SLEEP DISORDERS DAVIS PATRICIA C 2011-06-16 US claimed
US-20110144089-A1 METHOD OF TREATING SCHIZOPHRENIA AND OTHER DISORDERS ASTRAZENECA AB (SE) 2011-06-16 US claimed
US-20110136786-A1 METHOD OF TREATING MOOD DISORDERS DAVIS PATRICIA C 2011-06-09 US claimed
US-20110136785-A1 METHOD OF TREATMENT DAVIS PATRICIA C 2011-06-09 US claimed
US-20110136784-A1 Method of Treating Anxiety Disorders ASTRAZENECA AB (SE) 2011-06-09 US claimed
US-7902355-B2 Condensation of 10H-dibenzo-[b,f][1,4]-thiazepin-11-one with a piperazine derivative in the presence of a titanium alkoxide catalyst; Titanium catalyst easier to handle, have low toxicity, not chlorinated, much less harmful for the environment UNION QUIMICO-FARMACEUTICA S.A. (ES) 2011-03-08 US claimed
EP-1781646-B1 PROCESS FOR THE PREPARATION OF 11-(4-[2-(2-HYDROXYETHOXY)ETHYL]-1-PIPERAZINYL)DIBENZO[b,f][1,4]THIAZEPINE SK HOLDINGS CO LTD (KR) 2010-08-18 EP claimed
EP-1644005-B1 METABOLITE OF QUETIAPINE ASTRAZENECA AB (SE) 2010-08-18 EP claimed
US-20060229292-A1 Method of treating childhood disorders ASTRAZENECA AB (SE) 2006-10-12 US claimed
US-20060217366-A1 Method of treating schizophrenia and other disorders ASTRAZENECA AB (SE) 2006-09-28 US claimed
US-20060217365-A1 Method of treating mood disorders ASTRAZENECA AB (SE) 2006-09-28 US claimed
US-20060217367-A1 Method of treating anxiety disorders ASTRAZENECA AB (SE) 2006-09-28 US claimed
WO-2006077602-A1 INDUSTRIAL PREPARATION OF 11-[4-{2-(2-HYDROXYETHOXY ETHYL}-1-PIPERAZINYL] DIBENZO [b,f]-1[1, 4] THIAZEPINE IPCA LABORATORIES LIMITED (IN) 2006-07-27 WO claimed
WO-2006027789-A1 PROCESS FOR PRODUCING 11-[4-[2-(2-HYDROXYETHOXY)ETHYL]-1-PIPERAZINYL]DIBENZO[b,f][1,4]THIAZEPINE AND A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF JUBILANT ORGANOSYS LIMITED (IN) 2006-03-16 WO claimed
WO-2006001619-A1 PROCESS FOR THE PREPARATION OF 11-(4-[2-(2-HYDROXYETHOXY)ETHYL]-I-PIPERAZINYL)DIB ENZO[b,f][l,4]THIAZEPINE SK CORPORATION (KR) 2006-01-05 WO claimed
EP-1602650-A1 Method for the preparation of quetiapine by reductive N-alkylation of 11-Piperazinodibenzo(B,F) (1,4)Thioazepin with an aldehyde Celon Pharma Sp. z o.o. (PL) 2005-12-07 EP claimed
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. 2005-09-01 US claimed
US-20050026900-A1 Metabolite ASTRAZENECA AB (SE) 2005-02-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-20060217365-A1 Method of treating mood disorders MC2R, SLC6A11, HSD11B2 DRD2 238/4885CHRM2 259/4885ADRA2A 201/4885
US-20110136786-A1 METHOD OF TREATING MOOD DISORDERS TPH1, TPH2, GABBR1 DRD2 178/4885CHRM2 2850/4885ADRA2A 471/4885
US-20060217366-A1 Method of treating schizophrenia and other disorders SLC6A3, SLC6A1, SLC6A11 DRD2 17/4885CHRM2 152/4885ADRA2A 291/4885
US-20110136785-A1 METHOD OF TREATMENT SLC6A2, SLC6A3, DRD2 DRD2 3/4885CHRM2 92/4885ADRA2A 74/4885
US-20110144089-A1 METHOD OF TREATING SCHIZOPHRENIA AND OTHER DISORDERS SLC6A3, SLC6A1, SLC6A11 DRD2 17/4885CHRM2 152/4885ADRA2A 291/4885
US-20060217367-A1 Method of treating anxiety disorders SLC6A1, SLC6A11, GABRA6 DRD2 226/4885CHRM2 1904/4885ADRA2A 45/4885
US-20050026900-A1 Metabolite BDNF, SLC18A2, SLC6A2 DRD2 35/4885CHRM2 290/4885ADRA2A 264/4885
US-20110237568-A1 CRYSTALLINE FORMS CYP4B1, ABCG2, CYP4F11 DRD2 2648/4885CHRM2 1561/4885ADRA2A 516/4885
US-20110144088-A1 METHOD OF TREATING SLEEP DISORDERS SMPD4, HCRTR2, MTNR1B DRD2 281/4885CHRM2 18/4885ADRA2A 76/4885
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 DRD2 31/4885CHRM2 6/4885ADRA2A 49/4885
US-20110136784-A1 Method of Treating Anxiety Disorders SLC6A1, SLC6A11, GABRA6 DRD2 226/4885CHRM2 1904/4885ADRA2A 45/4885
US-20060229292-A1 Method of treating childhood disorders SLC6A3, SLC6A1, SLC18A2 DRD2 129/4885CHRM2 2396/4885ADRA2A 504/4885

“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.