SCHEMBL20809802

SCHEMBL20809802

CC(C)OC(=O)N[C@H]1CCCOC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD11B1 P28845 1/20 0.39
EPHX1 P07099 5/20 0.36
NAMPT P43490 1/20 0.36
GRM5 P41594 1/20 0.36
CNR2 P34972 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
DRD2 P14416 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
IDH1 O75874 1/20 0.33

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
SCHEMBL12206722 0.90 HSD11B1 (0.41) TSHRHPGDNPSR1HSD11B1NAMPT
SCHEMBL30103443 0.82 EPHX1 (0.40) CXCR2NPSR1EPHX1NAMPTCNR2
SCHEMBL12282654 0.82 EPHX1 (0.52) HPGDEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL12206723 0.82 EPHX1 (0.47) HPGDHSD11B1EPHX1DRD2NPC1
SCHEMBL12206725 0.82 HSD11B1 (0.41) TSHRHPGDHSD11B1EPHX1GRM5
SCHEMBL12206724 0.81 HSD11B1 (0.42) CXCR2TSHRHPGDNPSR1HSD11B1
SCHEMBL25480124 0.80 EPHX1 (0.55) HPGDNPSR1EPHX1NPC1RAB9A
SCHEMBL19426127 0.80 EPHX1 (0.55) HPGDNPSR1EPHX1NPC1RAB9A
SCHEMBL9357970 0.80 EPHX1 (0.55) HPGDNPSR1EPHX1NPC1RAB9A
SCHEMBL25479961 0.80 EPHX1 (0.55) HPGDNPSR1EPHX1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200397760-A1 METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER CYTEIR THERAPEUTICS, INC. 2020-12-24 US disclosed
US-10590122-B2 RAD51 inhibitors CYTEIR THERAPEUTICS, INC. (US) 2020-03-17 US disclosed
US-10336746-B1 RAD51 inhibitors CYTEIR THERAPEUTICS, INC. (US) 2019-07-02 US disclosed
US-20190077799-A1 RAD51 Inhibitors CYTEIR THERAPEUTICS, INC. 2019-03-14 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 (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-20200397760-A1 METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER RAD51, MRE11, RAD52 CXCR2 2894/4885TSHR 3938/4885HPGD 2070/4885
US-10590122-B2 RAD51 inhibitors RAD51, MRE11, RAD54L CXCR2 2542/4885TSHR 3630/4885HPGD 1959/4885
US-10336746-B1 RAD51 inhibitors RAD51, MRE11, RAD54L CXCR2 2542/4885TSHR 3630/4885HPGD 1959/4885
US-20190077799-A1 RAD51 Inhibitors RAD51, MRE11, RAD54L CXCR2 2542/4885TSHR 3630/4885HPGD 1959/4885

“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.