SCHEMBL19982010

SCHEMBL19982010

CC1=C(C)CN(C(=O)[C@@H](N)C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.43
DPP8 Q6V1X1 11/20 0.43
DPP7 Q9UHL4 11/20 0.43
DPP9 Q86TI2 9/20 0.43
FAP Q12884 3/20 0.36
PREP P48147 2/20 0.36
PITRM1 Q5JRX3 1/20 0.36
SLC6A15 Q9H2J7 1/20 0.35
ACE P12821 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
SCHEMBL19981883 0.73 DPP4 (0.44) DPP4DPP8DPP7DPP9FAP
SCHEMBL19981964 0.73 DPP4 (0.41) DPP4DPP8DPP7DPP9FAP
SCHEMBL13494233 0.72 DPP4 (0.48) DPP4DPP8DPP7DPP9
SCHEMBL9102765 0.71 DPP4 (0.47) DPP4DPP8DPP7DPP9FAP
SCHEMBL9102749 0.71 DPP4 (0.47) DPP4DPP8DPP7DPP9FAP
SCHEMBL296935 0.71 DPP4 (0.47) DPP4DPP8DPP7DPP9FAP
SCHEMBL1951493 0.71 DPP4 (0.47) DPP4DPP8DPP7DPP9FAP
SCHEMBL111112 0.71 DPP4 (0.47) DPP4DPP8DPP7DPP9FAP
Hydrochloric Acid SCHEMBL25318201 0.70 DPP4 (0.46) DPP4DPP8DPP7DPP9FAP
SCHEMBL2735523 0.70 DPP4 (0.46) DPP4DPP8DPP7DPP9FAP

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 DPP4 3504/4885DPP8 4369/4885DPP7 4157/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 DPP4 3757/4885DPP8 4145/4885DPP7 4144/4885

“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.