SCHEMBL17205115

SCHEMBL17205115

Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 5/20 0.36
CHRNA3 P32297 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL2411427 0.81 CYP3A4 (0.42) SMN1; SMN2LMNAALOX15TSHRMAPK1
SCHEMBL5736431 0.80 THRA (0.35)
SCHEMBL17200284 0.80 SLC6A4 (0.40) SLC6A4
SCHEMBL1934074 0.80 MAOB (0.34) ALOX15
SCHEMBL1461252 0.79 MAPT (0.41) MAPTALDH1A1
SCHEMBL282196 0.79 ALDH1A1 (0.41) LMNATSHRSTAT3MAPTALDH1A1
SCHEMBL23036593 0.78 TDP1 (0.42) ALOX15MAPK1NPC1RAB9AMAPT
SCHEMBL5735681 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL31680206 0.76 PARP1 (0.33) MAPTL3MBTL1ALDH1A1
SCHEMBL19641545 0.76 PARP1 (0.33) MAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137469-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2019-10-09 EP disclosed
EP-3134405-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2019-08-28 EP disclosed
EP-3134405-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2019-08-28 EP disclosed
US-20180346477-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2018-12-06 US disclosed
US-10077272-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2018-09-18 US disclosed
US-20180072750-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2018-03-15 US disclosed
US-20180072750-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2018-03-15 US disclosed
US-9868744-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2018-01-16 US disclosed
US-9868744-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2018-01-16 US disclosed
US-9745317-B2 Heterocyclic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-08-29 US disclosed
US-20170044174-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-16 US disclosed
US-20170044174-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-16 US disclosed
US-20170044174-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-16 US disclosed
US-20170037053-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-09 US disclosed
US-20170037053-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-09 US disclosed
US-20170037053-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2017-02-09 US disclosed
WO-2015166366-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-11-05 WO disclosed
WO-2015166366-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-11-05 WO disclosed
WO-2015162518-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 WO disclosed
WO-2015162518-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 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 (5 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-10077272-B2 Heteroaromatic compounds and their use as dopamine D1 ligands DRD2, DRD1, DRD4 HAO1 940/4885SMN1; SMN2 1446/4885LMNA 4162/4885
US-20180072750-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 HAO1 940/4885SMN1; SMN2 1446/4885LMNA 4162/4885
US-20170037053-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 HAO1 933/4885SMN1; SMN2 1517/4885LMNA 4304/4885
US-20170044174-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 HAO1 1487/4885SMN1; SMN2 916/4885LMNA 3708/4885
US-20180346477-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 HAO1 940/4885SMN1; SMN2 1446/4885LMNA 4162/4885

“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.