SCHEMBL17559403

SCHEMBL17559403

O=C(O)c1ccc(C(=O)N2CCOCC2)cn1.[LiH]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.81
ALDH1A1 P00352 2/20 0.63
GRM5 P41594 1/20 0.57
HPGD P15428 4/20 0.56
POLB P06746 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
P4HA1 P13674 1/20 0.53
MIF P14174 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
PHGDH O43175 1/20 0.53
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
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
SCHEMBL6742231 0.98 SMN1; SMN2 (0.83) SMN1; SMN2ALDH1A1GRM5HPGDPOLB
SCHEMBL13210615 0.89 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1GRM5HPGDPOLB
SCHEMBL1018513 0.87 SMN1; SMN2 (0.83) SMN1; SMN2ALDH1A1GRM5HPGDPOLB
Lithium Ion SCHEMBL17559401 0.84 SMN1; SMN2 (0.78) SMN1; SMN2ALDH1A1GRM5HPGDPOLB
SCHEMBL17559398 0.82 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1GRM5HPGDPOLB
SCHEMBL2235373 0.80 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1GRM5HPGDPOLB
SCHEMBL7562739 0.79 SMN1; SMN2 (0.81) SMN1; SMN2ALDH1A1GRM5HPGDPOLB
SCHEMBL20255520 0.79 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1GRM5HPGDPOLB
SCHEMBL3402254 0.79 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1GRM5HPGDPOLB
SCHEMBL31388578 0.79 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1GRM5HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
EP-3189041-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS Ctxt Pty Ltd (AU) 2017-07-12 EP 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 SMN1; SMN2 2876/4885ALDH1A1 4190/4885GRM5 832/4885

“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.