SCHEMBL19972733

SCHEMBL19972733

O=C(NCCN1CCCCC1)[C@H]1Cc2ccc(O)cc2CN1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
HDAC8 Q9BY41 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL29744609 1.00 KCNH2 (0.48) KCNH2MEN1KMT2AOPRM1OPRD1
SCHEMBL19981842 0.81 KCNH2 (0.45) KCNH2MEN1KMT2AOPRM1OPRD1
SCHEMBL19972738 0.81 KCNH2 (0.45) KCNH2MEN1KMT2AOPRM1OPRD1
SCHEMBL29744546 0.81 KCNH2 (0.45) KCNH2MEN1KMT2AOPRM1OPRD1
SCHEMBL19972752 0.79 KCNH2 (0.75) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL19981891 0.79 KCNH2 (0.75) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL19982032 0.79 KCNH2 (0.75) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL19972729 0.79 KCNH2 (0.75) KCNH2OPRM1OPRD1OPRK1MAPK8
SCHEMBL29744500 0.78 MEN1 (0.67) KCNH2MEN1KMT2AOPRM1OPRD1
SCHEMBL19972734 0.78 MEN1 (0.67) KCNH2MEN1KMT2AOPRM1OPRD1

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 13 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
EP-3512832-A1 TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS Research Triangle Institute, International (US) 2019-07-24 EP disclosed
WO-2018053222-A1 TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS RESEARCH TRAINGLE INSTITUTE (US) 2018-03-22 WO 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 589/4885MEN1 4413/4885KMT2A 347/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 KCNH2 633/4885MEN1 4576/4885KMT2A 587/4885

“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.