SCHEMBL17665100

SCHEMBL17665100

Cc1ccc(N2CCN(CC3COC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AKR1C3 P42330 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR7 P34969 2/20 0.43
ADRB1 P08588 1/20 0.43
DRD2 P14416 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL22542103 0.88 EBP (0.48) MAPTNPSR1AKR1C3MEN1KMT2A
SCHEMBL12082219 0.85 MAPT (0.51) MAPTNPSR1MEN1KMT2AHTR7
SCHEMBL16848707 0.84 MAPT (0.56) MAPTNPSR1MEN1KMT2AHTR7
SCHEMBL17642592 0.84 AKR1C3 (0.45) MAPTAKR1C3KMT2ADRD2HTR1A
SCHEMBL17660591 0.83 ALDH1A1 (0.46) MAPTDRD2HTR1AADRA2AADRA2C
SCHEMBL22542091 0.82 MAPT (0.51) MAPTNPSR1MEN1KMT2AHTR7
SCHEMBL20372819 0.81 MAPT (0.51) MAPTNPSR1HTR7ADRB1ADRA1D
SCHEMBL15499062 0.79 MAPT (0.47) MAPTNPSR1MEN1KMT2AHTR7
SCHEMBL16848710 0.79 POLB (0.55) MAPTAKR1C3MEN1KMT2AADRB1
SCHEMBL18872636 0.78 MAPT (0.46) MAPTNPSR1HTR7ADRB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS MAPT 2232/4885NPSR1 4112/4885AKR1C3 4037/4885

“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.