SCHEMBL19085083

SCHEMBL19085083

CC(C)C(C)c1cccc(CO)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
TRPV3 Q8NET8 3/20 0.36
IRAK4 Q9NWZ3 6/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CXCR4 P61073 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4047127 0.86 GABRA1 (0.42) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL20416692 0.84 CCR1 (0.39) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL29337105 0.82 IRAK4 (0.44) CCR1IRAK4
SCHEMBL20738460 0.82 CCR1 (0.42) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL20400486 0.82 CCR1 (0.38) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL2936127 0.82 IRAK4 (0.44) CCR1IRAK4
SCHEMBL20436438 0.81 TSHR (0.37) CCR1GABRA1GABRG2GABRB3IRAK4
SCHEMBL23006785 0.80 IRAK4 (0.38) IRAK4CXCR4
SCHEMBL17349929 0.79 CCR1 (0.35) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL20416689 0.79 CCR1 (0.35) CCR1GABRA1GABRG2GABRB3IRAK4

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-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 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 (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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 CCR1 1669/4885GABRA1 99/4885GABRG2 95/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 CCR1 1669/4885GABRA1 99/4885GABRG2 95/4885

“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.