SCHEMBL5949566

SCHEMBL5949566

CC(C)OC(=O)NC1CC[CH]CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
DRD2 P14416 1/20 0.41
EPHX1 P07099 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL103089 0.86 HSD11B1 (0.47) HSD11B1DRD2EPHX1SMN1; SMN2RAB9A
Bicarbonate SCHEMBL8027977 0.82 HSD11B1 (0.44) HSD11B1DRD2EPHX1SMN1; SMN2RAB9A
SCHEMBL12206723 0.82 EPHX1 (0.47) HSD11B1DRD2EPHX1SMN1; SMN2RAB9A
SCHEMBL12282654 0.82 EPHX1 (0.52) EPHX1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL25480124 0.81 EPHX1 (0.55) EPHX1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL9357970 0.81 EPHX1 (0.55) EPHX1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL25479961 0.81 EPHX1 (0.55) EPHX1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL19426127 0.81 EPHX1 (0.55) EPHX1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL1562008 0.80 EPHX1 (0.44) EPHX1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL25486735 0.79 EPHX1 (0.48) HSD11B1DRD2EPHX1SMN1; SMN2RAB9A

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
CN-114072390-A RAD51 inhibitors 赛泰尔治疗公司 2022-02-18 CN disclosed
US-7125877-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-10-24 US disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
EP-1505063-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
US-20030236267-A1 Benzimidazole derivatives MSD K.K. (JP) 2003-12-25 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP 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-20030236267-A1 Benzimidazole derivatives OPRL1, GPR119, NPBWR1 HSD11B1 814/4885DRD2 204/4885EPHX1 4285/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR HSD11B1 1413/4885DRD2 139/4885EPHX1 4704/4885

“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.