SCHEMBL17572996

SCHEMBL17572996

COC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ RBP4 P02753 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL17559397 0.98 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL14422387 0.86 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL17559469 0.86 HPGD (0.61) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL9133746 0.85 ALDH1A1 (0.64) ALDH1A1KMT2AHPGDRBP4POLB
Lithium Ion SCHEMBL17559395 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL3900270 0.82 KMT2A (0.70) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL14980308 0.80 POLB (0.72) KMT2AHPGDCYP2C19POLBMEN1
SCHEMBL17573009 0.80 HSP90AA1 (0.54) ALDH1A1KMT2AHPGDRBP4POLB
SCHEMBL17559436 0.79 HSP90AA1 (0.53) ALDH1A1KMT2AHPGDRBP4POLB
SCHEMBL8658563 0.78 HPGD (0.68) ALDH1A1KMT2AHPGDPOLB

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-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 ALDH1A1 4190/4885KMT2A 38/4885MAPT 3366/4885

“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.

Send feedback