SCHEMBL19982037

SCHEMBL19982037

CN[C@H](CN1CCC(C)CC1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT1 Q99873 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
SIGMAR1 Q99720 5/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ACHE P22303 2/20 0.37
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33

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
SCHEMBL9103738 0.80 HRH3 (0.33) CARM1PRMT6HRH3
SCHEMBL9103724 0.80 HRH3 (0.33) CARM1PRMT6HRH3
SCHEMBL9102728 0.79 MEN1 (0.34) CARM1PRMT6PRMT8MEN1KMT2A
SCHEMBL9102712 0.79 MEN1 (0.34) CARM1PRMT6PRMT8MEN1KMT2A
SCHEMBL9103896 0.79 MEN1 (0.39) CARM1PRMT6PRMT8SIGMAR1MEN1
SCHEMBL9103884 0.79 MEN1 (0.39) CARM1PRMT6PRMT8SIGMAR1MEN1
SCHEMBL13817495 0.79 MEN1 (0.36) MEN1KMT2ALMNAPOLBHTT
Hydrochloric Acid SCHEMBL9105755 0.78 KMT2A (0.38) CARM1PRMT6PRMT8SIGMAR1MEN1
Hydrochloric Acid SCHEMBL9105769 0.78 KMT2A (0.38) CARM1PRMT6PRMT8SIGMAR1MEN1
SCHEMBL13817508 0.78 MEN1 (0.43) CARM1PRMT6PRMT8SIGMAR1MEN1

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 CARM1 1044/4885PRMT6 786/4885PRMT1 700/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 CARM1 1644/4885PRMT6 1197/4885PRMT1 1104/4885

“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.