SCHEMBL1663589

SCHEMBL1663589

O=C(CC1CNC1)OC(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRA4 P48169 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL28718425 0.86 SLC6A1 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL25368480 0.82
SCHEMBL20875297 0.82
SCHEMBL22712720 0.82
SCHEMBL22491873 0.75 BRD4 (0.35)
Trifluoroacetic Acid SCHEMBL18493226 0.75 BRD4 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21063492 0.74
SCHEMBL28488982 0.74 SLC6A1 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3068424 0.73 HDAC1 (0.33) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL21063499 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561256-A Crystal form of biphenyl derivative inhibitor and preparation method thereof 上海翰森生物医药科技有限公司 2024-02-13 CN disclosed
CN-113348170-B Biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-22 CN disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
CN-115536657-A Salt of biphenyl derivative inhibitor, crystal form and preparation method thereof 上海翰森生物医药科技有限公司 2022-12-30 CN disclosed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 US disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154780-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF S1PR1, S1PR5, S1PR2 SLC6A1 2077/4885GABRA5 620/4885GABRB2 955/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 SLC6A1 2085/4885GABRA5 608/4885GABRB2 938/4885

“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.