SCHEMBL1543949

SCHEMBL1543949

Cn1c(S)nnc1-c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.40
HSD11B2 P80365 1/20 0.40
DRD2 P14416 4/20 0.40
HTR6 P50406 2/20 0.40
CYP2A6 P11509 6/20 0.39
HRH4 Q9H3N8 1/20 0.37
CYP2B6 P20813 2/20 0.35
CYP2E1 P05181 1/20 0.35
PTGS2 P35354 1/20 0.35
DRD3 P35462 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1543914 0.76 SMN1; SMN2 (0.46) CYP3A4CYP2C19KDM4E
SCHEMBL14557028 0.74 HSD11B1 (0.34) DRD2
Hydrochloric Acid SCHEMBL4869761 0.74 SMN1; SMN2 (0.45) CYP3A4CYP2C19KDM4E
SCHEMBL1544604 0.73 NPC1 (0.51) CYP2C19
SCHEMBL392717 0.73 HSD11B1 (0.53) DRD2
SCHEMBL14557023 0.72 LMNA (0.42) DRD2KDM4E
SCHEMBL13049801 0.71 DRD2 (0.34) DRD2DRD3
SCHEMBL4184528 0.70 HSD11B1 (0.43) DRD2HRH4CYP2C19
SCHEMBL12803376 0.70 ALDH1A1 (0.45) HSD11B2CYP3A4CYP2C19KDM4E
SCHEMBL1544137 0.70 HSD11B1 (0.56) NR1I2HSD11B2KDM4E

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 53 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
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-10577361-B2 Dopamine D3 receptor antagonists having a morpholine moiety INDIVIOR UK LIMITED (GB) 2020-03-03 US disclosed
US-10577361-B2 Dopamine D3 receptor antagonists having a morpholine moiety INDIVIOR UK LIMITED (GB) 2020-03-03 US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US disclosed
US-6602867-B1 Triazole compounds with dopamine-D3-receptor affinity ABBOTT LABORATORIES 2003-08-05 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
EP-1144405-A1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY BASF AKTIENGESELLSCHAFT (DE) 2001-10-17 EP disclosed
WO-2000042036-A1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 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 (3 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 NR1I2 409/4885HSD11B2 1274/4885DRD2 2/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 NR1I2 1120/4885HSD11B2 1387/4885DRD2 2/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 NR1I2 1120/4885HSD11B2 1387/4885DRD2 2/4885

“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.