SCHEMBL19981634

SCHEMBL19981634

CCN(CC)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSS P25774 3/20 0.52
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
CA7 P43166 1/20 0.49
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
CYP2D6 P10635 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PREP P48147 1/20 0.43
TRPA1 O75762 2/20 0.42
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL19981824 0.88 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL8933949 0.88 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL8933947 0.88 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL5873389 0.86 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL19981637 0.85 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL9439387 0.84 CTSK (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL9439267 0.84 CTSK (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL5447582 0.83 CA1 (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL14778518 0.81 CTSK (0.53) CTSKCTSSCA2CA1CA7
SCHEMBL3212854 0.81 CTSK (0.53) CTSKCTSSCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317742-A1 METHODS OF PREPARING INTERMEDIATES OF HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INCORPORATED 2024-09-26 US disclosed
US-11292783-B2 Substituted 1,2,3,4-tetrahydroisoquinolines as kappa opioid antagonists RESEARCH TRIANGLE INSTITUTE (NC) 2022-04-05 US disclosed
EP-3512832-B1 TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS RES TRIANGLE INST (US) 2021-05-19 EP disclosed
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists RESEARCH TRIANGLE INSTITUTE (US) 2019-08-29 US disclosed
WO-2018053222-A1 TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS RESEARCH TRAINGLE INSTITUTE (US) 2018-03-22 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 (3 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-20240317742-A1 METHODS OF PREPARING INTERMEDIATES OF HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 CTSK 4065/4885CTSS 4114/4885CA2 4266/4885
US-11292783-B2 Substituted 1,2,3,4-tetrahydroisoquinolines as kappa opioid antagonists OPRK1, OPRD1, OPRM1 CTSK 3093/4885CTSS 2915/4885CA2 4676/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 CTSK 3036/4885CTSS 3452/4885CA2 4654/4885

“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.