SCHEMBL30715499

SCHEMBL30715499

N[C@H](COCc1ccc(COC[C@@H](N)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.69
CACNA1F O60840 1/20 0.63
CACNA1D Q01668 1/20 0.63
CACNA1S Q13698 1/20 0.63
CACNA1C Q13936 1/20 0.63
SCN4A P35499 2/20 0.57
TSHR P16473 1/20 0.50

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
SCHEMBL252456 1.00 TACR1 (0.69) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL252800 1.00 TACR1 (0.69) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL18580091 0.96 TACR1 (0.70) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4988525 0.96 TACR1 (0.70) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL16321476 0.96 TACR1 (0.70) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL22050521 0.87 TACR1 (0.64) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL21995083 0.87 TACR1 (0.64) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4985457 0.87 TACR1 (0.76) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL21994971 0.86 TACR1 (0.62) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL22457178 0.86 TACR1 (0.62) TACR1CACNA1FCACNA1DCACNA1SCACNA1C

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-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 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-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 TACR1 825/4885CACNA1F 3798/4885CACNA1D 4418/4885

“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.