SCHEMBL22924677

SCHEMBL22924677

CC(C)CN1CCC(C)(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 16/20 0.44
PIK3CD O00329 1/20 0.42
CYP3A4 P08684 12/20 0.40
USP2 O75604 5/20 0.40
CYP1A2 P05177 5/20 0.40
CYP2C9 P11712 1/20 0.40
FFAR3 O14843 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 1/20 0.36

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
SCHEMBL24960951 1.00 CYP2D6 (0.44) CYP2D6PIK3CDCYP3A4USP2CYP1A2
SCHEMBL24961182 1.00 CYP2D6 (0.44) CYP2D6PIK3CDCYP3A4USP2CYP1A2
SCHEMBL22924678 0.85 PIK3CD (0.42) CYP2D6PIK3CDCYP3A4USP2CYP1A2
SCHEMBL3419567 0.81 CYP2D6 (0.41) CYP2D6PIK3CDCYP3A4USP2CYP1A2
SCHEMBL22675449 0.79 FFAR3 (0.44) FFAR3SMN1; SMN2TSHR
SCHEMBL24134740 0.78 FFAR3 (0.43) FFAR3
SCHEMBL23374702 0.77 CYP2D6 (0.43) CYP2D6PIK3CDCYP3A4USP2CYP1A2
SCHEMBL21618691 0.76 FFAR3 (0.41) FFAR3SMN1; SMN2
SCHEMBL3421104 0.74 CYP2D6 (0.46) CYP2D6PIK3CDCYP3A4USP2CYP1A2
SCHEMBL24960892 0.73 CYP2D6 (0.41) CYP2D6PIK3CDCYP3A4USP2CYP1A2

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-4234030-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-30 EP disclosed
WO-2023006019-A1 POLYSUBSTITUTED BENZENE PD-L1 INHIBITOR, COMPOSITION AND USE THEREOF 杭州和正医药有限公司 2023-02-02 WO disclosed
US-20210024494-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2021-01-28 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-20210024494-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP2D6 3043/4885PIK3CD 2118/4885CYP3A4 4061/4885

“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.