SCHEMBL19982000

SCHEMBL19982000

CC(C)[C@H](N)C(=O)N1CCC(N(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.47
DPP4 P27487 15/20 0.45
DPP8 Q6V1X1 7/20 0.45
DPP7 Q9UHL4 6/20 0.45
DPP9 Q86TI2 5/20 0.45
FAP Q12884 3/20 0.43
PREP P48147 2/20 0.43
PITRM1 Q5JRX3 1/20 0.43
KCNH2 Q12809 1/20 0.40
OPRD1 P41143 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL19502759 0.86 L3MBTL3 (0.50) L3MBTL3DPP4DPP8DPP7DPP9
SCHEMBL15045182 0.86 L3MBTL3 (0.50) L3MBTL3DPP4DPP8DPP7DPP9
SCHEMBL10160258 0.82 L3MBTL3 (0.50) L3MBTL3DPP4DPP8DPP7DPP9
SCHEMBL4546641 0.82 L3MBTL3 (0.53) L3MBTL3MEN1ALDH1A1KMT2A
SCHEMBL19981943 0.80 ALDH1A1 (0.61) DPP4DPP8DPP7DPP9FAP
SCHEMBL22630456 0.80 ALDH1A1 (0.61) DPP4DPP8DPP7DPP9FAP
SCHEMBL17787623 0.80 ALDH1A1 (0.61) DPP4DPP8DPP7DPP9FAP
SCHEMBL14147669 0.79 DPP4 (0.49) DPP4DPP8DPP7DPP9FAP
SCHEMBL4693217 0.77 DPP4 (0.46) DPP4DPP8DPP7DPP9FAP
Hydrochloric Acid SCHEMBL27826420 0.77 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 L3MBTL3 3727/4885DPP4 3504/4885DPP8 4369/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 L3MBTL3 3423/4885DPP4 3757/4885DPP8 4145/4885

“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.