SCHEMBL17665015

SCHEMBL17665015

Cc1ccc(N2CCC3(CC2)COC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.48
AKR1C3 P42330 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RORC P51449 1/20 0.43
LRRK2 Q5S007 1/20 0.42
USP2 O75604 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 4/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
CYP11B1 P15538 1/20 0.41

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
SCHEMBL14320393 0.81 MAPT (0.50) NPC1RAB9AGAAL3MBTL1RORC
SCHEMBL15400584 0.81 AKR1C3 (0.46) AKR1C3NPC1RAB9AL3MBTL1RORC
SCHEMBL17308203 0.81 HDAC4 (0.43) ADRB1AKR1C3NPC1RAB9AGAA
SCHEMBL19832328 0.81 ADRB1 (0.52) ADRB1AKR1C3NPC1RAB9AL3MBTL1
SCHEMBL22680902 0.81 MAPT (0.46) NPC1RAB9AL3MBTL1RORCLRRK2
SCHEMBL17660613 0.81 MAPK1 (0.47) NPC1RAB9AGAAL3MBTL1RORC
SCHEMBL17543949 0.79 ADRB1 (0.50) ADRB1AKR1C3NPC1RAB9AGAA
SCHEMBL22537876 0.79 ADRB1 (0.50) ADRB1AKR1C3NPC1RAB9AL3MBTL1
SCHEMBL20037582 0.78 CYP11B1 (0.43) RAB9AGAARORCLRRK2MEN1
SCHEMBL24123989 0.78 ADRB1 (0.58) ADRB1AKR1C3USP2MEN1KMT2A

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 ADRB1 4538/4885AKR1C3 4037/4885NPC1 2146/4885

“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.