SCHEMBL19981639

SCHEMBL19981639

CC1CCN(C[C@@H](N)C2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ACHE P22303 3/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
SIGMAR1 Q99720 5/20 0.37
HRH3 Q9Y5N1 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.34
CHRNA7 P36544 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34

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
SCHEMBL18205231 0.80 MEN1 (0.41) HTTMEN1KMT2A
SCHEMBL18205145 0.80 MEN1 (0.41) HTTMEN1KMT2A
SCHEMBL28669044 0.80 MEN1 (0.41) HTTMEN1KMT2A
SCHEMBL19981797 0.75 SIGMAR1 (0.41) POLBHTTMEN1KMT2AACHE
SCHEMBL19972726 0.75 SIGMAR1 (0.41) POLBHTTMEN1KMT2AACHE
SCHEMBL21294392 0.75 SIGMAR1 (0.41) POLBHTTMEN1KMT2AACHE
SCHEMBL19972739 0.75 SIGMAR1 (0.41) POLBHTTMEN1KMT2AACHE
SCHEMBL803898 0.73 PIK3CD (0.45) MEN1KMT2AACHECARM1PRMT6
SCHEMBL4348633 0.72 MEN1 (0.43) HTTMEN1KMT2ASIGMAR1LMNA
SCHEMBL6586785 0.72 ANPEP (0.41) POLBHTTMEN1KMT2AACHE

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 POLB 3052/4885HTT 1738/4885MEN1 4413/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 POLB 2423/4885HTT 1712/4885MEN1 4576/4885

“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.