SCHEMBL26945902

SCHEMBL26945902

N#CCC[C@@H]1CNCCN1C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
OPRD1 P41143 2/20 0.34
ACHE P22303 4/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
DPP4 P27487 2/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
Hydrochloric Acid SCHEMBL26925678 0.99 SIGMAR1 (0.34) SIGMAR1OPRD1ACHESLC6A2SLC6A4
Hydrochloric Acid SCHEMBL26925681 0.99 SIGMAR1 (0.34) SIGMAR1OPRD1ACHESLC6A2SLC6A4
SCHEMBL25918370 0.83 SLC6A2 (0.38) SIGMAR1OPRD1ACHESLC6A2SLC6A4
SCHEMBL21831083 0.81 SIGMAR1 (0.40) SIGMAR1OPRD1ACHESLC6A2SLC6A4
SCHEMBL21831108 0.80 SIGMAR1 (0.39) SIGMAR1OPRD1ACHESLC6A2SLC6A4
SCHEMBL21831136 0.80 SIGMAR1 (0.42) SIGMAR1OPRD1ACHESLC6A2SLC6A4
SCHEMBL21831106 0.80 SIGMAR1 (0.39) SIGMAR1OPRD1ACHESLC6A2SLC6A4
SCHEMBL21831856 0.80 SIGMAR1 (0.39) SIGMAR1OPRD1ACHESLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30910911 0.80 SIGMAR1 (0.39) SIGMAR1OPRD1ACHESLC6A2SLC6A4
SCHEMBL21831284 0.77 SLC6A2 (0.39) SIGMAR1ACHESLC6A2SLC6A4SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239768-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION (US) 2023-12-14 WO disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US 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 (1 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-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG SIGMAR1 4195/4885OPRD1 4503/4885ACHE 2172/4885

“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.