SCHEMBL17200282

SCHEMBL17200282

COc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)cnnc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 18/20 0.53
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HRH2 P25021 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL17200309 0.91 DRD1 (0.61) DRD1ADRB2CHRM2ADRB1HTR1A
SCHEMBL17200354 0.88 DRD1 (0.53) DRD1ADRB2CHRM2ADRB1HTR1A
SCHEMBL17200285 0.85 DRD1 (0.51) DRD1ADRB2CHRM2ADRB1HTR1A
SCHEMBL17200294 0.84 DRD1 (0.59) DRD1ADRB2CHRM2ADRB1HTR1A
SCHEMBL17200357 0.81 DRD1 (0.52) DRD1ADRB2CHRM2ADRB1HTR1A
SCHEMBL17200310 0.81 DRD1 (0.51) DRD1ADRB2CHRM2ADRB1HTR1A
SCHEMBL17200286 0.78 DRD1 (0.49) DRD1ADRB2CHRM2ADRB1HTR1A
SCHEMBL15688106 0.78 DRD1 (0.81) DRD1ADRB2CHRM2ADRB1HTR1A
SCHEMBL15688327 0.76 CYP1A1 (0.46) DRD1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17200323 0.76 DRD1 (0.64) DRD1ADRB2CHRM2ADRB1HTR1A

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-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 EP disclosed
EP-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 EP disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 US disclosed
WO-2015162515-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 WO disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 US disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 US disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 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 (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-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 DRD1 2/4885ADRB2 45/4885CHRM2 22/4885

“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.