SCHEMBL6749268

SCHEMBL6749268

CC(C)(CO)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
NR1H2 P55055 1/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 7/20 0.46
FAAH O00519 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL7834433 0.87 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7499379 0.86 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL20061060 0.86 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL26619649 0.85 EPHX1 (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7512914 0.84 HPGD (0.53) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL190460 0.83 NR1H2 (0.61) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL6218596 0.83 NR1H2 (0.61) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL22648884 0.83 HPGD (0.51) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL18711867 0.83 HPGD (0.51) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL6747684 0.82 MEN1 (0.48) HPGDKDM4EPKMRECQLEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170065575-A1 NAMPT INHIBITORS ABBVIE INC (US) 2017-03-09 US disclosed
US-20150141398-A1 NAMPT INHIBITORS ABBVIE INC. 2015-05-21 US disclosed
US-8975398-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-03-10 US disclosed
US-20130303510-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 EP disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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 (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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 HPGD 592/4885KDM4E 1573/4885PKM 2494/4885
US-20150141398-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HPGD 178/4885KDM4E 3407/4885PKM 1047/4885
US-20170065575-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HPGD 178/4885KDM4E 3407/4885PKM 1047/4885
US-20130303510-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HPGD 178/4885KDM4E 3407/4885PKM 1047/4885

“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.