SCHEMBL19981983

SCHEMBL19981983

CCC1CCN(C(=O)[C@@H](N)C(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 10/20 0.53
DPP8 Q6V1X1 8/20 0.53
DPP4 P27487 13/20 0.49
DPP9 Q86TI2 5/20 0.49
EPHX2 P34913 1/20 0.48
FAP Q12884 3/20 0.43
PREP P48147 2/20 0.43
PITRM1 Q5JRX3 1/20 0.43

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
SCHEMBL14147669 0.82 DPP4 (0.49) DPP7DPP8DPP4DPP9FAP
SCHEMBL1753627 0.82 EPHX2 (0.53) DPP7DPP8DPP4DPP9EPHX2
SCHEMBL22874692 0.81 EPHX2 (0.49) DPP7DPP8DPP4DPP9EPHX2
SCHEMBL17787623 0.80 ALDH1A1 (0.61) DPP7DPP8DPP4DPP9FAP
SCHEMBL22630456 0.80 ALDH1A1 (0.61) DPP7DPP8DPP4DPP9FAP
SCHEMBL19981943 0.80 ALDH1A1 (0.61) DPP7DPP8DPP4DPP9FAP
SCHEMBL16361285 0.79 EPHX2 (0.44) DPP7DPP8DPP4DPP9EPHX2
SCHEMBL19982050 0.79 DPP4 (0.49) DPP7DPP8DPP4DPP9FAP
SCHEMBL22875196 0.79 EPHX2 (0.70) DPP7DPP8EPHX2
SCHEMBL4693217 0.77 DPP4 (0.46) DPP7DPP8DPP4DPP9FAP

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

“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.