SCHEMBL21322299

SCHEMBL21322299

CC(=O)N1CCC(NCC(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.52
EPHX2 P34913 9/20 0.50
EPHX1 P07099 4/20 0.50
PIK3CD O00329 1/20 0.47
MAPT P10636 1/20 0.42
PRMT5 O14744 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 1/20 0.40

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 0.89 OPRK1 (0.47) OPRK1EPHX2EPHX1PIK3CDMAPT
SCHEMBL21290467 0.89 OPRK1 (0.47) OPRK1EPHX2EPHX1PIK3CDMAPT
SCHEMBL6418827 0.85 OPRK1 (0.49) OPRK1EPHX2EPHX1SMN1; SMN2
SCHEMBL21870607 0.82 OPRK1 (0.47) OPRK1EPHX2EPHX1SMN1; SMN2
SCHEMBL10938895 0.81 EPHX2 (0.53) EPHX2EPHX1MAPT
SCHEMBL27322279 0.80 EPHX2 (0.46) OPRK1EPHX2EPHX1MAPTPRMT5
SCHEMBL25769752 0.80 CA1 (0.43) OPRK1EPHX2EPHX1PIK3CDSMN1; SMN2
SCHEMBL2102575 0.79 EPHX2 (0.51) EPHX2EPHX1MAPT
SCHEMBL19509462 0.79 EPHX2 (0.51) EPHX2EPHX1MAPT
SCHEMBL13803920 0.79 EPHX2 (0.51) EPHX2EPHX1MAPT

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 7 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 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
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
US-20190270727-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-09-05 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 (5 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 OPRK1 463/4885EPHX2 2900/4885EPHX1 2207/4885
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.