SCHEMBL6366544

SCHEMBL6366544

OC[C@@H]1C[C@H]1c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 17/20 0.41
▸ HTR2B P41595 13/20 0.41
▸ HTR2A P28223 9/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ MAOB P27338 2/20 0.39

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
SCHEMBL16569648 1.00 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL17080568 1.00 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL6366543 1.00 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL16569276 1.00 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL16569446 1.00 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL2826042 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL16585369 0.79 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL20570045 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL20570046 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL13591154 0.79 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114126-B1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-31 — — EP disclosed
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-23 — — US disclosed
EP-3083567-B1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-07 — — EP disclosed
EP-3044211-B1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-01-03 — — EP disclosed
US-9802901-B2 Antibacterial 2H-indazole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-31 — — US disclosed
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-20 — — US disclosed
US-9624206-B2 Antibacterial 1H-indazole and 1H-indole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2017-04-18 — — US disclosed
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-02-02 — — US disclosed
US-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-04 — — US disclosed
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 — — 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 (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-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES H1-3, MRPL21, H1-0 HTR2C 1128/4885HTR2B 1134/4885HTR2A 2353/4885
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES MRPL21, PYM1, DRD3 HTR2C 73/4885HTR2B 106/4885HTR2A 111/4885
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents CCNI, H1-0, H1-3 HTR2C 2343/4885HTR2B 3339/4885HTR2A 3663/4885
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS CCNI, H1-0, H1-3 HTR2C 2343/4885HTR2B 3339/4885HTR2A 3663/4885
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HTR2C 301/4885HTR2B 250/4885HTR2A 157/4885

“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.

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