SCHEMBL21328343

SCHEMBL21328343

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
GRIN2C Q14957 1/20 0.46
MTNR1B P49286 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
MTNR1A P48039 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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) PDE4DMTNR1BCYP3A4CYP2D6CYP2C19
SCHEMBL21328362 0.89 PDE4D (0.53) PDE4DMTNR1BCYP3A4CYP2D6CYP2C19
SCHEMBL11936777 0.83 DRD2 (0.57) PDE4DMTNR1BDRD2DRD1MTNR1A
SCHEMBL23054182 0.82 PDE4D (0.63) PDE4DMTNR1BDRD2DRD1DRD4
SCHEMBL12826271 0.81 PDE4D (0.52) PDE4DMTNR1BCYP3A4CYP2D6CYP2C19
SCHEMBL2742617 0.80 PDE4D (0.54) PDE4DGRIN2CDRD2DRD1DRD4
SCHEMBL5108871 0.80 ESR1 (0.58) CA1CA2CA9CA14GRIN2C
SCHEMBL12826406 0.78 PDE4D (0.50) PDE4DMTNR1BCYP3A4CYP2D6CYP2C19
SCHEMBL986126 0.76 CA1 (0.55) PDE4DCA1CA2CA9CA14
SCHEMBL10961753 0.76 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 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 1321/4885CA1 4374/4885CA2 3580/4885

“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.