SCHEMBL21290467

SCHEMBL21290467

CC(=O)N1CCC(NCC(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.47
EPHX2 P34913 6/20 0.44
EPHX1 P07099 3/20 0.44
LTA4H P09960 2/20 0.41
PIK3CD O00329 1/20 0.41
OPRL1 P41146 1/20 0.40
HSD11B1 P28845 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
PRMT5 O14744 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL21870612 1.00 OPRK1 (0.47) OPRK1EPHX2EPHX1LTA4HPIK3CD
SCHEMBL25769752 0.90 CA1 (0.43) OPRK1EPHX2EPHX1PIK3CDSMN1; SMN2
SCHEMBL21322299 0.89 OPRK1 (0.52) OPRK1EPHX2EPHX1PIK3CDSMN1; SMN2
SCHEMBL4109487 0.86 OPRK1 (0.44) OPRK1EPHX2EPHX1HSD11B1SMN1; SMN2
SCHEMBL14453881 0.85 OPRK1 (0.43) OPRK1EPHX2HSD11B1SMN1; SMN2HSD17B10
SCHEMBL23665159 0.83 OPRK1 (0.42) OPRK1PIK3CDHSD11B1SMN1; SMN2HSD17B10
SCHEMBL21870602 0.83 OPRK1 (0.42) OPRK1EPHX2EPHX1HSD11B1SMN1; SMN2
SCHEMBL13798632 0.82 EPHX2 (0.46) EPHX2EPHX1LTA4HOPRL1MAPT
SCHEMBL8138855 0.82 EPHX2 (0.46) EPHX2EPHX1LTA4HOPRL1MAPT
SCHEMBL12750502 0.82 EPHX2 (0.46) EPHX2EPHX1LTA4HOPRL1MAPT

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-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20210053946-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-25 US disclosed
US-10710986-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-14 US disclosed
US-20190270727-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-09-05 US disclosed
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 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 (4 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 OPRK1 2358/4885EPHX2 3652/4885EPHX1 2907/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 OPRK1 2358/4885EPHX2 3652/4885EPHX1 2907/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 OPRK1 2358/4885EPHX2 3652/4885EPHX1 2907/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 OPRK1 2358/4885EPHX2 3652/4885EPHX1 2907/4885

“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.