SCHEMBL8203956

SCHEMBL8203956

COCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.78
LMNA P02545 2/20 0.78
CHRM2 P08172 2/20 0.78
HTR1A P08908 2/20 0.78
ADRA2A P08913 2/20 0.78
CHRM1 P11229 2/20 0.78
ADRA2B P18089 2/20 0.78
ADRA2C P18825 2/20 0.78
CHRM3 P20309 2/20 0.78
DRD1 P21728 2/20 0.78
HTR2A P28223 2/20 0.78
HTR2C P28335 2/20 0.78
ADRA1A P35348 2/20 0.78
HRH1 P35367 2/20 0.78
OPRM1 P35372 2/20 0.78
DRD3 P35462 2/20 0.78
HTR2B P41595 2/20 0.78
KCNH2 Q12809 2/20 0.78
CHRM4 P08173 1/20 0.78
CYP3A4 P08684 1/20 0.78

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
SCHEMBL12287533 0.90 DRD2 (0.80) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL8301867 0.89 DRD2 (0.76) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL13114628 0.89 DRD2 (0.78) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL20959758 0.89 CHRM1 (0.66) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL16884483 0.89 DRD2 (0.74) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL27866344 0.88 DRD2 (0.96) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL7932 0.88 DRD2 (1.00) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL4283801 0.88 DRD2 (1.00) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL4638768 0.88 DRD2 (1.00) DRD2LMNACHRM2HTR1AADRA2A
Quetiapine SCHEMBL29360153 0.88 DRD2 (1.00) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF BISCAYNE NEUROTHERAPEUTICS, INC. 2015-07-09 US disclosed
US-8828993-B2 Psychotropic agents having glutamate NMDA activity RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-09-09 US disclosed
US-8828993-B2 Psychotropic agents having glutamate NMDA activity RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-09-09 US disclosed
US-20130131048-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-05-23 US disclosed
US-20130131048-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-05-23 US disclosed
US-8394790-B2 Psychotropic agents having glutamate NMDA activity RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-03-12 US disclosed
US-8394790-B2 Psychotropic agents having glutamate NMDA activity RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-03-12 US disclosed
US-7858777-B2 Preparation method for quetiapine FERMION OY (FI) 2010-12-28 US disclosed
US-20100093704-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD (IL) 2010-04-15 US disclosed
US-20100093704-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD (IL) 2010-04-15 US disclosed
WO-2008050341-A2 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD (IL) 2008-05-02 WO disclosed
US-20070111986-A1 Preparation method for quetiapine FERMION OY (FI) 2007-05-17 US 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 (4 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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF HTT, HNMT, GAP43 DRD2 2057/4885LMNA 748/4885CHRM2 1699/4885
US-20130131048-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY GRIN1, GRIN2A, GRIN2B DRD2 94/4885LMNA 4848/4885CHRM2 484/4885
US-20100093704-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY GRIN1, GRIN2A, GRIN2B DRD2 94/4885LMNA 4848/4885CHRM2 484/4885
US-20070111986-A1 Preparation method for quetiapine CYP3A5, COMT, CYP51A1 DRD2 56/4885LMNA 770/4885CHRM2 664/4885

“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.