SCHEMBL2910960

SCHEMBL2910960

ClCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.68
LMNA P02545 2/20 0.68
CHRM2 P08172 2/20 0.68
HTR1A P08908 2/20 0.68
ADRA2A P08913 2/20 0.68
CHRM1 P11229 2/20 0.68
ADRA2B P18089 2/20 0.68
ADRA2C P18825 2/20 0.68
CHRM3 P20309 2/20 0.68
DRD1 P21728 2/20 0.68
HTR2A P28223 2/20 0.68
HTR2C P28335 2/20 0.68
ADRA1A P35348 2/20 0.68
HRH1 P35367 2/20 0.68
OPRM1 P35372 2/20 0.68
DRD3 P35462 2/20 0.68
HTR2B P41595 2/20 0.68
KCNH2 Q12809 2/20 0.68
CHRM4 P08173 1/20 0.68
CYP3A4 P08684 1/20 0.68

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
SCHEMBL2080473 0.87 DRD2 (0.79) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL8022151 0.86 DRD2 (0.80) DRD2LMNACHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL4187406 0.86 DRD2 (0.67) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL144624 0.82 DRD2 (0.74) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL14359158 0.82 HTR1A (0.65) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL2370828 0.82 DRD2 (0.65) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL14359747 0.82 DRD2 (0.65) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL14359523 0.82 HTR1A (0.65) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL4283801 0.81 DRD2 (1.00) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL14359442 0.81 DRD2 (0.64) DRD2LMNACHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252151-B1 A PROCESS FOR THE PREPARATION OF QUETIAPINE AND INTERMEDIATES THEREFOR EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2004-03-17 EP claimed
EP-1252151-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE AND INTERMEDIATES THEREFOR EGIS GYOGYSZERGYAR RT. (HU) 2002-10-30 EP claimed
WO-2001055125-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE AND INTERMEDIATES THEREFOR EGIS Gyógyszergyár Rt. (HU) 2001-08-02 WO 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 disclosed
US-7678902-B2 Process for the preparation of 11-(4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl)dibenzo[b,f][1,4]thiazepine SK HOLDINGS CO., LTD. (KR) 2010-03-16 US disclosed
US-20070225494-A1 Process for the Preparation of 11-(4-[2-(2-Hydroxyethoxy)Ethyl]-I-Piperazinyl)Dibenzo[b,f][I,4]Thiazepine SK CORPORATION (KR) 2007-09-27 US disclosed
EP-1252151-B1 A PROCESS FOR THE PREPARATION OF QUETIAPINE AND INTERMEDIATES THEREFOR EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2004-03-17 EP disclosed
EP-1252151-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE AND INTERMEDIATES THEREFOR EGIS GYOGYSZERGYAR RT. (HU) 2002-10-30 EP disclosed
WO-2001055125-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE AND INTERMEDIATES THEREFOR EGIS Gyógyszergyár Rt. (HU) 2001-08-02 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 (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-20070225494-A1 Process for the Preparation of 11-(4-[2-(2-Hydroxyethoxy)Ethyl]-I-Piperazinyl)Dibenzo[b,f][I,4]Thiazepine TALDO1, QDPR, HDHD5 DRD2 9/4885LMNA 3472/4885CHRM2 1564/4885

“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.