SCHEMBL4701736

SCHEMBL4701736

Cn1c(S)nnc1-c1cnccn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
P2RX7 Q99572 1/20 0.43

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
SCHEMBL18912013 0.81 RAB9A (0.51) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL28394986 0.79 P2RX7 (0.43) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL4877890 0.76 DRD3 (0.34) TSHRMAPTP2RX7
SCHEMBL18905853 0.76 MEN1 (0.48) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL1544336 0.75 NPC1 (0.55) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL17725124 0.75 CYP11B1 (0.32)
SCHEMBL30396221 0.75 NPC1 (0.55) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL18453413 0.74 GSK3B (0.39)
SCHEMBL17725273 0.70
SCHEMBL1544974 0.70 ALDH1A1 (0.50) RAB9AALDH1A1TSHRMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
EP-3362446-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LTD (GB) 2020-12-02 EP disclosed
EP-3362446-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LTD (GB) 2020-12-02 EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes INDIVIOR UK LIMITED (GB) 2020-03-10 US disclosed
US-10577361-B2 Dopamine D3 receptor antagonists having a morpholine moiety INDIVIOR UK LIMITED (GB) 2020-03-03 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
WO-2017064488-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LIMITED (GB) 2017-04-20 WO disclosed
WO-2017021920-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2017-02-09 WO disclosed
WO-2017021920-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2017-02-09 WO disclosed
WO-2016067043-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LIMITED (GB) 2016-05-06 WO disclosed
US-7465744-B2 Triazole compounds and the therapeutic use thereof ABBOTT GMBH & CO. KG (DE) 2008-12-16 US disclosed
EP-1594861-B1 TRIAZOLE COMPOUNDS AND THE THERAPEUTIC USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-06-18 EP disclosed
US-20060241137-A1 Dopamine-D3-receptor antagonists/agonists; high selectivity, bioavailability and high cerebral availability; central nervous system diorders; 2-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]propyl}-7-propionyl-1,2,3,4-tetrahydroisoquinoline ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-10-26 US disclosed
US-6472392-B1 Triazole compounds and the use thereof as dopamine-D3 -ligands ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-0994865-B1 TRIAZOLE COMPOUNDS AND THE USE THEREOF AS DOPAMINE-D 3-LIGANDS BASF AG (DE) 2002-03-06 EP 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-10577361-B2 Dopamine D3 receptor antagonists having a morpholine moiety DRD3, DRD2, SLC6A3 RAB9A 470/4885NPC1 2568/4885ALDH1A1 620/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 RAB9A 1000/4885NPC1 3367/4885ALDH1A1 1368/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 RAB9A 1000/4885NPC1 3367/4885ALDH1A1 1368/4885
US-20060241137-A1 Dopamine-D3-receptor antagonists/agonists; high selectivity, bioavailability and high cerebral availability; central nervous system diorders; 2-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]propyl}-7-propionyl-1,2,3,4-tetrahydroisoquinoline DRD3, SLC6A3, ADORA3 RAB9A 3232/4885NPC1 1494/4885ALDH1A1 1075/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 RAB9A 875/4885NPC1 2781/4885ALDH1A1 164/4885

“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.