SCHEMBL17080573

SCHEMBL17080573

O=C(O)NC1CCN(Cc2ccc(I)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.74
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP2C19 P33261 1/20 0.70
TMEM97 Q5BJF2 1/20 0.70
DRD4 P21917 2/20 0.56
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL3590338 0.87 SIGMAR1 (0.73) SIGMAR1DRD4KMT2APOLB
SCHEMBL20640315 0.87 SIGMAR1 (0.73) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL2425554 0.86 SIGMAR1 (0.78) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8035540 0.85 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL21410212 0.85 SIGMAR1 (0.76) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3946017 0.84 MCHR1 (0.70) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL3366478 0.82 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23573083 0.82 SIGMAR1 (0.56) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL22719864 0.82 SIGMAR1 (0.76) SIGMAR1DRD4DRD2KMT2A
SCHEMBL6312739 0.82 SIGMAR1 (0.76) SIGMAR1MAPK1KMT2A

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 SIGMAR1 335/4885CYP1A2 1035/4885CYP3A4 2381/4885
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 SIGMAR1 335/4885CYP1A2 1035/4885CYP3A4 2381/4885

“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.