SCHEMBL22265669

SCHEMBL22265669

O=C(O)N1CC[C@@H](Oc2cc(F)cc(F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.45
PIK3CA P42336 4/20 0.45
PIK3CB P42338 4/20 0.45
PIK3CG P48736 4/20 0.45
CHRM3 P20309 1/20 0.42
CYP1A2 P05177 1/20 0.41
RIPK1 Q13546 1/20 0.41
LIPG Q9Y5X9 2/20 0.40
LIPC P11150 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CNR1 P21554 1/20 0.39
EPHX2 P34913 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 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
SCHEMBL22265757 1.00 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGCHRM3
SCHEMBL28694105 1.00 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGCHRM3
SCHEMBL23365224 0.91 FFAR4 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGCHRM3
SCHEMBL20168877 0.87 RIPK1 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCHRM3
SCHEMBL23456342 0.86 EPHX2 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGCHRM3
SCHEMBL23456315 0.86 EPHX2 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGCHRM3
SCHEMBL23456316 0.86 EPHX2 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGCHRM3
SCHEMBL20137676 0.85 ABHD6 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL20137675 0.85 ABHD6 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL22266136 0.81 CCR3 (0.47) LIPGLIPCFFAR4GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230116101-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-04-13 US disclosed
CN-113906019-A Compound and use thereof 优曼尼蒂治疗公司 2022-01-07 CN disclosed
EP-3914593-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-12-01 EP disclosed
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
US-20210139471-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 US disclosed
WO-2020154571-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-07-30 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-20230116101-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 PIK3CD 3480/4885PIK3CA 2034/4885PIK3CB 2943/4885
US-20210139471-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 PIK3CD 3480/4885PIK3CA 2034/4885PIK3CB 2943/4885

“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.