SCHEMBL19982007

SCHEMBL19982007

CC(C)[C@@H](CC1CCCCCC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.60
OPRM1 P35372 5/20 0.53
OPRD1 P41143 5/20 0.53
OPRK1 P41145 3/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL29744502 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL29744560 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL29744620 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL19972761 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL19981960 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL29744552 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL19972736 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL21294359 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL21294402 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL29744556 1.00 KCNH2 (0.60) KCNH2OPRM1OPRD1OPRK1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790125-B Tetrahydroisoquinoline kappa opioid antagonists 研究三角协会 2022-07-05 CN claimed
EP-3512832-B1 TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS RES TRIANGLE INST (US) 2021-05-19 EP claimed
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists RESEARCH TRIANGLE INSTITUTE (US) 2019-08-29 US claimed
CN-109790125-B Tetrahydroisoquinoline kappa opioid antagonists 研究三角协会 2022-07-05 CN disclosed
US-11292783-B2 Substituted 1,2,3,4-tetrahydroisoquinolines as kappa opioid antagonists RESEARCH TRIANGLE INSTITUTE (NC) 2022-04-05 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
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
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 KCNH2 589/4885OPRM1 3/4885OPRD1 2/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 KCNH2 633/4885OPRM1 3/4885OPRD1 2/4885

“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.