SCHEMBL21328362

SCHEMBL21328362

COc1ccc2c(c1)CCN(C=O)[C@@H]2Cc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP26A1 O43174 2/20 0.51
CYP24A1 Q07973 1/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MTNR1B P49286 2/20 0.46
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL21346750 0.91 PDE4D (0.55) PDE4DCYP3A4CYP2D6CYP2C19MTNR1B
SCHEMBL21328343 0.89 PDE4D (0.53) PDE4DCYP3A4CYP2D6CYP2C19MTNR1B
SCHEMBL11936777 0.87 DRD2 (0.57) PDE4DMTNR1BDRD2DRD1KCNH2
SCHEMBL2742617 0.84 PDE4D (0.54) PDE4DDRD2DRD1DRD4
SCHEMBL5108458 0.84 KDM4E (0.72) KDM4EALDH1A1ALOX15HSD17B10CYP2D6
SCHEMBL12826271 0.83 PDE4D (0.52) PDE4DKDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL5108032 0.81 KDM4E (0.53) KDM4EALDH1A1ALOX15HSD17B10CYP26A1
SCHEMBL12826406 0.80 PDE4D (0.50) PDE4DKDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL5102475 0.80 ESR1 (0.71) KDM4EALDH1A1ALOX15HSD17B10CYP26A1
SCHEMBL5108036 0.80 KDM4E (0.55) KDM4EALDH1A1ALOX15HSD17B10CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190275027-A1 Bis-Benzyl-Tetrahydroisoquinoline Derivatives As Therapeutics For Filovirus SOUTHWEST RESEARCH INSTITUTE 2019-09-12 US disclosed
US-20190275027-A1 Bis-Benzyl-Tetrahydroisoquinoline Derivatives As Therapeutics For Filovirus SOUTHWEST RESEARCH INSTITUTE 2019-09-12 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 (1 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-20190275027-A1 Bis-Benzyl-Tetrahydroisoquinoline Derivatives As Therapeutics For Filovirus TREH, TTN, TSN PDE4D 1321/4885KDM4E 1464/4885ALDH1A1 2748/4885

“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.