SCHEMBL18451630

SCHEMBL18451630

Cc1cccc(N2CCC3CNCC32)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.70
HTR2A P28223 5/20 0.70
HTR2B P41595 5/20 0.70
CHRNB2 P17787 8/20 0.49
CHRNB4 P30926 8/20 0.49
CHRNA3 P32297 8/20 0.49
CHRNA4 P43681 8/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ADRB1 P08588 1/20 0.46
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL18452164 0.83 HTR2C (0.67) HTR2CHTR2AHTR2BCHRNB2CHRNB4
SCHEMBL18452843 0.83 HRH3 (0.62) HTR2CHTR2AHTR2BCHRNB2CHRNB4
SCHEMBL13137461 0.83 HRH3 (0.62) HTR2CHTR2AHTR2BCHRNB2CHRNB4
SCHEMBL18453013 0.82 HTR2C (1.00) HTR2CHTR2AHTR2BCHRNB2CHRNB4
SCHEMBL6213136 0.81 HTR2C (0.68) HTR2CHTR2AHTR2BCHRNB2CHRNB4
SCHEMBL18452262 0.79 HRH3 (0.66) HTR2CHTR2AHTR2BCHRNB2CHRNB4
SCHEMBL18452497 0.79 HTR2C (1.00) HTR2CHTR2AHTR2BHRH3MAPT
SCHEMBL18453238 0.77 HTR2C (0.69) HTR2CHTR2AHTR2BCHRNB2CHRNB4
SCHEMBL652146 0.73 CHRNB2 (0.74) HTR2CHTR2AHTR2BCHRNB2CHRNB4
SCHEMBL653914 0.73 CHRNB2 (0.74) HTR2CHTR2AHTR2BCHRNB2CHRNB4

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 13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 HTR2C 29/4885HTR2A 76/4885HTR2B 143/4885
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 HTR2C 31/4885HTR2A 77/4885HTR2B 147/4885
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators DRD3, DRD2, OPRD1 HTR2C 15/4885HTR2A 43/4885HTR2B 58/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 HTR2C 10/4885HTR2A 39/4885HTR2B 50/4885

“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.