SCHEMBL19981982

SCHEMBL19981982

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

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ KCNH2 Q12809 1/20 0.30
▸ CACNA1I Q9P0X4 1/20 0.30
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL19972739 0.80 SIGMAR1 (0.41) —
SCHEMBL19981797 0.80 SIGMAR1 (0.41) —
SCHEMBL21294392 0.80 SIGMAR1 (0.41) —
SCHEMBL1687229 0.79 PIK3CD (0.42) KCNH2CACNA1IGRIN2DGRIN3BADRA1D
SCHEMBL19113012 0.79 GNAO1 (0.32) DPP8DPP7KCNH2CACNA1I
SCHEMBL19982049 0.79 SLC18A3 (0.31) KCNH2
SCHEMBL27507642 0.77 SLC18A3 (0.33) —
SCHEMBL12424260 0.76 SLC6A3 (0.43) KCNH2CACNA1IGRIN2DGRIN3BADRA1D
SCHEMBL20801740 0.76 GRIN2D (0.37) DPP8DPP7KCNH2CACNA1IGRIN2D
SCHEMBL24492152 0.76 SMN1; SMN2 (0.32) DPP8DPP7

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 DPP8 4369/4885DPP7 4157/4885KCNH2 589/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 DPP8 4145/4885DPP7 4144/4885KCNH2 633/4885

“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.

Send feedback