SCHEMBL5545000

SCHEMBL5545000

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.58
GPR119 Q8TDV5 6/20 0.56
SRD5A1 P18405 1/20 0.52
CHEK2 O96017 2/20 0.52
SRD5A2 P31213 1/20 0.51
PIK3CD O00329 1/20 0.49
EPHX2 P34913 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL240368 1.00 USP30 (0.58) USP30GPR119SRD5A1CHEK2SRD5A2
SCHEMBL5544755 1.00 USP30 (0.58) USP30GPR119SRD5A1CHEK2SRD5A2
SCHEMBL1649132 0.92 GPR119 (0.64) USP30GPR119SRD5A1CHEK2SRD5A2
Hydrochloric Acid SCHEMBL14632585 0.91 GPR119 (0.63) USP30GPR119SRD5A1CHEK2SRD5A2
SCHEMBL15376733 0.90 USP30 (0.54) USP30GPR119SRD5A1CHEK2SRD5A2
SCHEMBL5548878 0.89 GPR119 (0.55) USP30GPR119CHEK2PIK3CDKMT2A
SCHEMBL5548078 0.89 GPR119 (0.55) USP30GPR119CHEK2PIK3CDKMT2A
SCHEMBL28716248 0.89 GPR119 (0.55) USP30GPR119CHEK2PIK3CDKMT2A
SCHEMBL21409063 0.88 USP30 (0.71) USP30GPR119PIK3CDKMT2A
SCHEMBL1769219 0.88 USP30 (0.71) USP30GPR119PIK3CDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
US-20160184282-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
US-9193723-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-11-24 US disclosed
US-9187472-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2847192-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP disclosed
WO-2013170112-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
US-20130303508-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20130303511-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 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 (8 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S USP30 2342/4885GPR119 2654/4885SRD5A1 2276/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 USP30 3755/4885GPR119 3583/4885SRD5A1 282/4885
US-20130303508-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT USP30 4391/4885GPR119 662/4885SRD5A1 3018/4885
US-20160184282-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT USP30 4391/4885GPR119 662/4885SRD5A1 3018/4885
US-20130303511-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT USP30 4391/4885GPR119 662/4885SRD5A1 3018/4885
US-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT USP30 4391/4885GPR119 662/4885SRD5A1 3018/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 USP30 3419/4885GPR119 215/4885SRD5A1 109/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT USP30 4391/4885GPR119 662/4885SRD5A1 3018/4885

“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.