SCHEMBL6522249

SCHEMBL6522249

O=C(O)C1CCN(C(=O)c2ccccc2Cl)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 1.00
MGLL Q99685 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HTR2B P41595 1/20 0.68
MAPK14 Q16539 1/20 0.68
GAA P10253 1/20 0.67
HSD11B1 P28845 1/20 0.64
EPHX2 P34913 1/20 0.63
RXFP1 Q9HBX9 1/20 0.62
MAPT P10636 1/20 0.60
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 2/20 0.56
CPB1 P15086 1/20 0.56
TP53 P04637 1/20 0.54
UBE2M P61081 1/20 0.54
DCUN1D1 Q96GG9 1/20 0.54

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
SCHEMBL10723816 0.84 RAB9A (0.80) RAB9AMGLLTDP1CYP2C9CYP2C19
SCHEMBL5658973 0.84 RAB9A (0.72) RAB9AMGLLTDP1MAPTALDH1A1
SCHEMBL10274559 0.84 RAB9A (0.72) RAB9AMGLLTDP1CYP2C9CYP2C19
SCHEMBL23775392 0.84 RAB9A (0.72) RAB9AMGLLTDP1CYP2C9CYP2C19
SCHEMBL26387389 0.84 RAB9A (0.72) RAB9AMGLLTDP1CYP2C9CYP2C19
SCHEMBL5766611 0.83 RAB9A (0.70) RAB9AMGLLTDP1CYP2C9CYP2C19
SCHEMBL11893518 0.83 ALDH1A1 (0.76) RAB9AMGLLCYP2C9CYP2C19HTR2B
SCHEMBL7311576 0.82 RAB9A (0.69) RAB9AMGLLGAAMAPTKDM4E
SCHEMBL8375940 0.81 RAB9A (0.68) RAB9AMGLLTDP1CYP2C9CYP2C19
SCHEMBL4171372 0.81 KMT2A (0.73) RAB9AMGLLTDP1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US claimed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP claimed
CN-102498099-A HSL inhibitors useful in the treatment of diabetes HOFFMANN LA ROCHE 2012-06-13 CN claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US claimed
EP-2805955-A1 1-OXO/ACYLATION-14-ACYLATED ORIDONIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Hangzhou Bensheng Pharmaceutical Co., Ltd. (CN) 2014-11-26 EP disclosed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
CN-102498099-A HSL inhibitors useful in the treatment of diabetes HOFFMANN LA ROCHE 2012-06-13 CN disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL RAB9A 3818/4885MGLL 6/4885TDP1 3029/4885

“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.