SCHEMBL19970752

SCHEMBL19970752

FC(F)(F)Oc1cccc(CN2CCN(Cc3ccc4[nH]c(-c5ccccc5)nc4c3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 2/20 0.52
OPRM1 P35372 2/20 0.48
CHRM3 P20309 2/20 0.45
DRD4 P21917 2/20 0.45
DRD2 P14416 3/20 0.45
DRD1 P21728 1/20 0.45
SLC2A1 P11166 1/20 0.44
DHODH Q02127 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
CHEK2 O96017 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TACR2 P21452 1/20 0.41

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
SCHEMBL19970753 0.92 RUNX1 (0.59) RUNX1OPRM1CHRM3DRD2SLC2A1
SCHEMBL19970740 0.92 RUNX1 (0.54) RUNX1DRD2SLC2A1BCHEACHE
SCHEMBL19970839 0.90 KIT (0.49) RUNX1OPRM1SLC2A1KDM4EALDH1A1
SCHEMBL19970750 0.88 MEN1 (0.53) RUNX1CHRM3BCHEACHESIGMAR1
SCHEMBL19970757 0.87 CBFB (0.58) RUNX1OPRM1CHRM3DRD2DRD1
SCHEMBL19970741 0.84 RUNX1 (0.61) RUNX1DRD2SLC2A1BCHEACHE
SCHEMBL19970789 0.83 OPRM1 (0.47) RUNX1OPRM1CHRM3DRD4DRD2
SCHEMBL19970827 0.82 SLC2A1 (0.55) OPRM1DRD2SLC2A1BCHEACHE
SCHEMBL19970751 0.82 BCHE (0.55) RUNX1SLC2A1BCHEACHECHEK2
SCHEMBL19970841 0.82 RUNX1 (0.53) RUNX1OPRM1SLC2A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-25 US disclosed
US-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION UNIVERSITE D'ORLEANS (FR) 2021-09-23 US disclosed
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 EP 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-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION FIP1L1, ZC3HAV1, MAVS RUNX1 2083/4885OPRM1 2327/4885CHRM3 3937/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS RUNX1 2083/4885OPRM1 2327/4885CHRM3 3937/4885

“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.