SCHEMBL17665175

SCHEMBL17665175

Cc1ccc(N2CCO[C@@H](CO)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SYK P43405 2/20 0.43
ADRB1 P08588 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDK1 Q15118 2/20 0.41
AKR1C3 P42330 1/20 0.41
LRRK2 Q5S007 3/20 0.40
CD63 P08962 1/20 0.40
CHEK1 O14757 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
ACKR3 P25106 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL16440172 1.00 ADORA2A (0.43) ADORA2AADORA1SYKADRB1NPC1
SCHEMBL17665057 1.00 ADORA2A (0.43) ADORA2AADORA1SYKADRB1NPC1
SCHEMBL16440193 0.88 LRRK2 (0.42) SYKADRB1NPC1RAB9AGAA
SCHEMBL24312598 0.86 NPC1 (0.42) ADRB1NPC1RAB9AGAAL3MBTL1
SCHEMBL17642395 0.85 MAPT (0.42) ADORA2AADORA1SYKNPC1RAB9A
SCHEMBL21204374 0.85 MAPT (0.42) ADORA2AADORA1SYKNPC1RAB9A
SCHEMBL12197968 0.84 ADORA2A (0.49) ADORA2AADORA1SYKNPC1RAB9A
SCHEMBL21204465 0.84 ADORA2A (0.43) ADORA2AADORA1SYKPDK1AKR1C3
SCHEMBL12236702 0.84 ADORA2A (0.49) ADORA2AADORA1SYKNPC1RAB9A
SCHEMBL15650764 0.84 ADORA2A (0.49) ADORA2AADORA1SYKNPC1RAB9A

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 ADORA2A 4272/4885ADORA1 4821/4885SYK 1297/4885

“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.