SCHEMBL21346750

SCHEMBL21346750

COc1ccc2c(c1)CCN(C=O)[C@@H]2Cc1ccc(Oc2ccc(C[C@@H]3c4ccc(OC)cc4CCN3C=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.55
MTNR1B P49286 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
KCNH2 Q12809 1/20 0.45
MTNR1A P48039 1/20 0.45

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
SCHEMBL21328343 0.91 PDE4D (0.53) PDE4DMTNR1BCYP3A4CYP2D6CYP2C19
SCHEMBL21328362 0.91 PDE4D (0.53) PDE4DMTNR1BCYP3A4CYP2D6CYP2C19
SCHEMBL11936777 0.87 DRD2 (0.57) PDE4DMTNR1BDRD2DRD1KCNH2
SCHEMBL21346707 0.83 DRD2 (0.65) CYP2D6DRD2DRD1DRD4KCNH2
SCHEMBL21346108 0.83 DRD2 (0.65) CYP2D6DRD2DRD1DRD4KCNH2
SCHEMBL12826271 0.82 PDE4D (0.52) PDE4DMTNR1BCYP3A4CYP2D6CYP2C19
SCHEMBL12826406 0.80 PDE4D (0.50) PDE4DMTNR1BCYP3A4CYP2D6CYP2C19
SCHEMBL23054182 0.79 PDE4D (0.63) PDE4DMTNR1BDRD2DRD1DRD4
SCHEMBL2742617 0.78 PDE4D (0.54) PDE4DDRD2DRD1DRD4
SCHEMBL10961753 0.78 PDE4D (0.57) PDE4DMTNR1BCYP2D6MTNR1A

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 1 patent. 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

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 1321/4885MTNR1B 1239/4885CYP3A4 2845/4885

“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.