SCHEMBL8022151

SCHEMBL8022151

c1ccc2c(c1)N=C(N1CCN(C3=Nc4ccccc4Sc4ccccc43)CC1)c1ccccc1S2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.80
LMNA P02545 2/20 0.64
CHRM2 P08172 2/20 0.64
HTR1A P08908 2/20 0.64
ADRA2A P08913 2/20 0.64
CHRM1 P11229 2/20 0.64
ADRA2B P18089 2/20 0.64
ADRA2C P18825 2/20 0.64
CHRM3 P20309 2/20 0.64
DRD1 P21728 2/20 0.64
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.64
ADRA1A P35348 2/20 0.64
HRH1 P35367 2/20 0.64
OPRM1 P35372 2/20 0.64
DRD3 P35462 2/20 0.64
HTR2B P41595 2/20 0.64
KCNH2 Q12809 2/20 0.64
CHRM4 P08173 1/20 0.64
CYP3A4 P08684 1/20 0.64

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
SCHEMBL144624 0.92 DRD2 (0.74) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL13440473 0.92 DRD2 (0.74) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL8311 0.89 DRD2 (1.00) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL29368614 0.89 DRD2 (1.00) DRD2LMNACHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL1943859 0.88 DRD2 (0.97) DRD2LMNACHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL8507 0.88 DRD2 (0.97) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL3216890 0.87 DRD2 (0.64) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL13528315 0.87 DRD2 (0.64) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL3179409 0.87 DRD2 (0.64) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL3179404 0.87 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361311-A1 LIGANDS THAT TARGET HEPATITIS C VIRUS E2 PROTEIN American University of Cairo (EG) 2016-12-15 US disclosed
US-20160361311-A1 LIGANDS THAT TARGET HEPATITIS C VIRUS E2 PROTEIN American University of Cairo (EG) 2016-12-15 US disclosed
US-20080241949-A1 Process for preparing quetiapine fumarate TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2008-10-02 US disclosed
US-20080241949-A1 Process for preparing quetiapine fumarate TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2008-10-02 US 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

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

For each of this compound's patents that has machine-readable text (2 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-20160361311-A1 LIGANDS THAT TARGET HEPATITIS C VIRUS E2 PROTEIN CD81, HAVCR2, CTRL DRD2 2441/4885LMNA 4539/4885CHRM2 3630/4885
US-20080241949-A1 Process for preparing quetiapine fumarate CYP3A5, CYP3A4, FH DRD2 465/4885LMNA 2525/4885CHRM2 3136/4885

“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.