SCHEMBL17080583

SCHEMBL17080583

OCC1(c2ccc(I)nc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KDM4C Q9H3R0 1/20 0.31
P2RX7 Q99572 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL4050758 0.78 P2RX7 (0.42) SLC6A2SLC6A4P2RX7
SCHEMBL17080539 0.78 HDAC6 (0.33) SLC6A2SLC6A4KDM4CP2RX7
SCHEMBL5645623 0.74 SLC6A2 (0.37) SLC6A2SLC6A4KDM4C
SCHEMBL17595736 0.68 CCR1 (0.35) P2RX7
SCHEMBL23104539 0.68 P2RX7 (0.41) SLC6A2SLC6A4P2RX7
SCHEMBL16679290 0.68 P2RX7 (0.40) P2RX7
SCHEMBL7015186 0.68 P2RX7 (0.44) SLC6A2SLC6A4P2RX7
SCHEMBL7055234 0.67 ESR2 (0.48) SLC6A2SLC6A4
SCHEMBL17080542 0.67 SLC6A4 (0.41) SLC6A2SLC6A4
SCHEMBL17080493 0.67

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 5 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
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
EP-3114126-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd (CH) 2017-01-11 EP disclosed
WO-2015132228-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-11 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 (2 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-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 SLC6A2 4532/4885SLC6A4 4784/4885KDM4C 2047/4885
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 SLC6A2 4532/4885SLC6A4 4784/4885KDM4C 2047/4885

“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.