SCHEMBL19982008

SCHEMBL19982008

CC(C)[C@H](N)CC1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.41
METAP2 P50579 5/20 0.41
CYP1A2 P05177 1/20 0.39
METAP1 P53582 5/20 0.38
CTSK P43235 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
SCHEMBL17613450 1.00 REN (0.41) RENMETAP2CYP1A2METAP1CTSK
SCHEMBL13416407 1.00 REN (0.41) RENMETAP2CYP1A2METAP1CTSK
SCHEMBL19982041 0.98 REN (0.39) RENMETAP2CYP1A2METAP1CTSK
SCHEMBL21187420 0.93 REN (0.36) RENMETAP2CYP1A2METAP1
SCHEMBL14928517 0.87
SCHEMBL18627975 0.86 REN (0.44) RENMETAP2CYP1A2METAP1CTSK
SCHEMBL18627977 0.83 REN (0.42) RENMETAP2CYP1A2METAP1CTSK
SCHEMBL7274619 0.81 REN (0.46) RENMETAP2METAP1CTSK
SCHEMBL13502936 0.80 REN (0.41) RENMETAP2CYP1A2METAP1
SCHEMBL12204090 0.80 CYP1A2 (0.37) RENMETAP2CYP1A2METAP1CTSK

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 REN 1136/4885METAP2 3025/4885CYP1A2 685/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 REN 1470/4885METAP2 3276/4885CYP1A2 1473/4885

“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.