SCHEMBL390748

SCHEMBL390748

Cn1c(S)nnc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ADORA2A P29274 4/20 0.38
ADORA2B P29275 4/20 0.38
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1544893 0.98 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AADORA2AADORA2B
SCHEMBL390783 0.96 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AADORA2AADORA2B
SCHEMBL17725440 0.82 MEN1 (0.58) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL4872348 0.82 PDE1B (0.38) ALDH1A1MEN1KMT2A
SCHEMBL18454281 0.81 MEN1 (0.35) ALDH1A1MEN1KMT2AADORA2AADORA2B
SCHEMBL19520381 0.76 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2AADORA2AADORA2B
SCHEMBL19612578 0.76 DRD2 (0.35) MEN1KMT2A
SCHEMBL17712954 0.76 QDPR (0.43) ALDH1A1KDM4EPOLBTSHRALOX15
SCHEMBL14077017 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AADORA2AADORA2B
SCHEMBL6358868 0.75 NPSR1 (0.42) ALDH1A1HPGDMAPTPOLBHSD17B10

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes INDIVIOR UK LIMITED (GB) 2020-03-10 US disclosed
US-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR INC. 2019-06-27 US disclosed
US-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR INC. 2019-06-27 US disclosed
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators INDIVIOR UK LIMITED (GB) 2019-04-30 US disclosed
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators INDIVIOR UK LIMITED (GB) 2019-04-30 US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 US disclosed
EP-3331886-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY Indivior UK Limited (GB) 2018-06-13 EP 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
EP-1817037-B1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-04-19 US disclosed
US-8101754-B2 e.g., 2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-(1-methylcyclopropyl)-pyrimidine hydrochloride; central nervous system disorders; schizophrenia; antidepressant, anxiolytic agent, cognition activator; Parkinson's and Alzheimer's diseases ABBOTT GMBH & CO. KG (DE) 2012-01-24 US disclosed
US-20080171751-A1 Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-07-17 US disclosed
EP-1817037-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-15 EP disclosed
WO-2006058753-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-06-08 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 (6 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-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 ALDH1A1 307/4885MEN1 4571/4885KMT2A 1926/4885
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 ALDH1A1 292/4885MEN1 4633/4885KMT2A 1897/4885
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ADRB3, DRD3, ADORA3 ALDH1A1 511/4885MEN1 2438/4885KMT2A 3677/4885
US-20080171751-A1 Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRB3, DRD3, ADORA3 ALDH1A1 606/4885MEN1 2389/4885KMT2A 3803/4885
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators DRD3, DRD2, OPRD1 ALDH1A1 285/4885MEN1 4850/4885KMT2A 2468/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 ALDH1A1 164/4885MEN1 3723/4885KMT2A 1947/4885

“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.