SCHEMBL4472985

SCHEMBL4472985

OC1(c2ccc(I)cc2)CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.66
SIGMAR1 Q99720 1/20 0.40
CCR1 P32246 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD4 P21917 6/20 0.36
DRD3 P35462 6/20 0.36
MAPKAPK2 P49137 2/20 0.35
EPHB3 P54753 1/20 0.34
LTA4H P09960 1/20 0.33
KMT2A Q03164 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
SCHEMBL12336881 0.84 DRD2 (0.43) DRD2CCR1OPRM1DRD4DRD3
SCHEMBL18296429 0.84 DRD2 (0.43) DRD2CCR1OPRM1DRD4DRD3
SCHEMBL14562542 0.84 DRD2 (0.43) DRD2CCR1OPRM1DRD4DRD3
SCHEMBL652586 0.81 DRD2 (0.68) DRD2SIGMAR1OPRM1DRD4DRD3
SCHEMBL15142925 0.80 DRD2 (0.41) DRD2CCR1OPRM1DRD4DRD3
SCHEMBL14865540 0.80 DRD2 (0.41) DRD2CCR1OPRM1DRD4DRD3
SCHEMBL615480 0.79 DRD2 (0.66) DRD2SIGMAR1OPRM1DRD4DRD3
SCHEMBL578373 0.79 DRD2 (0.66) DRD2SIGMAR1CCR1OPRM1DRD4
SCHEMBL187716 0.79 DRD2 (1.00) DRD2OPRM1DRD4DRD3MAPKAPK2
SCHEMBL613058 0.79 DRD2 (0.66) DRD2SIGMAR1OPRM1MAPKAPK2KMT2A

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 7 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
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-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 DRD2 554/4885SIGMAR1 335/4885CCR1 612/4885
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 DRD2 554/4885SIGMAR1 335/4885CCR1 612/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 DRD2 304/4885SIGMAR1 106/4885CCR1 676/4885

“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.