SCHEMBL3857960

SCHEMBL3857960

O=C(O)NC1(c2ccc(I)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.39
EPHX2 P34913 1/20 0.38
OPRM1 P35372 1/20 0.37
HTT P42858 1/20 0.35
FPR2 P25090 2/20 0.35
POLB P06746 1/20 0.35
SSTR4 P31391 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE2A O00408 4/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
VNN1 O95497 1/20 0.33
TACR3 P29371 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
SCHEMBL2363242 0.82 HTT (0.48) OPRM1HTTPOLBSSTR4KDM4E
SCHEMBL15258671 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6
SCHEMBL20476086 0.81 ALDH1A1 (0.39) HTTPOLBSSTR4KDM4EALDH1A1
SCHEMBL2720873 0.81 MAPK1 (0.38) HTTFPR2POLBKDM4EALDH1A1
SCHEMBL2362049 0.79 TACR3 (0.44) HTTPOLBSSTR4KDM4EALDH1A1
SCHEMBL3715587 0.77 CES2 (0.52) HTTPOLBSSTR4KDM4EALDH1A1
SCHEMBL9900730 0.77 VNN1 (0.40) OPRM1HTTALDH1A1HDAC6CA1
SCHEMBL15258641 0.75 MPO (0.47) HTTKDM4EALDH1A1CA1CA2
SCHEMBL20476242 0.75 NPSR1 (0.47) ALDH1A1HPGDHSD17B10CA1CA2
SCHEMBL5640967 0.75 AKT1 (0.43) OPRM1PDE2A

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 12 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-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
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
US-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-04 US disclosed
EP-3044211-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-07-20 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
WO-2015036964-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-03-19 WO disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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 (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-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES H1-3, MRPL21, H1-0 TPMT 2873/4885EPHX2 4254/4885OPRM1 646/4885
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 TPMT 2016/4885EPHX2 4324/4885OPRM1 509/4885
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 TPMT 2016/4885EPHX2 4324/4885OPRM1 509/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 TPMT 4322/4885EPHX2 2177/4885OPRM1 27/4885

“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.