SCHEMBL17572995

SCHEMBL17572995

CC(=O)N1CCC(N(C)C(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.54
PDK2 Q15119 2/20 0.52
USP30 Q70CQ3 2/20 0.49
NPY5R Q15761 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
CCR5 P51681 2/20 0.46
USP2 O75604 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
SCHEMBL17559448 0.99 MCHR1 (0.53) MCHR1PDK2USP30NPY5RL3MBTL3
SCHEMBL95193 0.87 MCHR1 (0.53) MCHR1PDK2USP30NPY5RL3MBTL3
SCHEMBL6538705 0.87 CCR5 (0.57) MCHR1PDK2NPY5RL3MBTL3CCR5
Lithium Ion SCHEMBL17559446 0.86 MCHR1 (0.52) MCHR1PDK2USP30NPY5RL3MBTL3
SCHEMBL17559476 0.85 PDK2 (0.52) MCHR1PDK2USP30NPY5RL3MBTL3
SCHEMBL17572925 0.85 USP30 (0.52) MCHR1PDK2USP30L3MBTL3CCR5
SCHEMBL17559455 0.83 USP30 (0.51) MCHR1PDK2USP30L3MBTL3CCR5
SCHEMBL20955964 0.78 PDK2 (0.66) MCHR1PDK2USP30L3MBTL3
SCHEMBL18924383 0.77 ALDH1A1 (0.53) USP30
SCHEMBL562825 0.77 POLB (0.50) MCHR1PDK2NPY5RL3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO 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-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 MCHR1 2275/4885PDK2 2493/4885USP30 1679/4885

“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.