SCHEMBL19981999

SCHEMBL19981999

CC(C)[C@H](N)CN1CCC(N(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.32
NPY1R P25929 1/20 0.31
ABL1 P00519 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
YES1 P07947 1/20 0.30
LYN P07948 1/20 0.30
RET P07949 1/20 0.30
FGR P09769 1/20 0.30
SRC P12931 1/20 0.30
FRK P42685 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL22793463 0.81 L3MBTL3 (0.33) L3MBTL3NPY1RPARP1
SCHEMBL20718136 0.81 L3MBTL3 (0.33) L3MBTL3NPY1RPARP1
SCHEMBL3421688 0.80 PIK3CD (0.41) L3MBTL3NPY1R
SCHEMBL21294392 0.79 SIGMAR1 (0.41)
SCHEMBL19981797 0.79 SIGMAR1 (0.41)
SCHEMBL19972739 0.79 SIGMAR1 (0.41)
SCHEMBL19981982 0.76 DPP8 (0.32)
SCHEMBL22550363 0.76 UBE2M (0.35) L3MBTL3NPY1R
SCHEMBL22550643 0.76 UBE2M (0.35) L3MBTL3NPY1R
SCHEMBL13349302 0.75 L3MBTL3 (0.38) L3MBTL3NPY1RPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-11292783-B2 Substituted 1,2,3,4-tetrahydroisoquinolines as kappa opioid antagonists OPRK1, OPRD1, OPRM1 L3MBTL3 3727/4885NPY1R 60/4885ABL1 856/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 L3MBTL3 3423/4885NPY1R 52/4885ABL1 1220/4885

“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.