Sugi Predict

Sugi Predict / Compounds / SCHEMBL699609

SCHEMBL699609

SCHEMBL699609

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.58
▸ USP30 Q70CQ3 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.51
▸ PIK3CD O00329 2/20 0.51
▸ CHEK2 O96017 2/20 0.51
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ PDE4B Q07343 1/20 0.47

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
SCHEMBL15376614 1.00 GPR119 (0.58) GPR119USP30ALDH1A1PIK3CDCHEK2
SCHEMBL699608 1.00 GPR119 (0.58) GPR119USP30ALDH1A1PIK3CDCHEK2
SCHEMBL4358976 0.92 CHEK2 (0.59) GPR119USP30ALDH1A1PIK3CDCHEK2
SCHEMBL264162 0.92 GPR119 (0.67) GPR119USP30ALDH1A1CHEK2NPC1
SCHEMBL20179924 0.90 GPR119 (0.58) GPR119USP30ALDH1A1PIK3CDCHEK2
SCHEMBL31142651 0.90 ALDH1A1 (0.60) GPR119USP30ALDH1A1PIK3CDHTT
SCHEMBL6189661 0.90 GPR119 (0.58) GPR119USP30ALDH1A1PIK3CDCHEK2
SCHEMBL6182215 0.89 USP30 (0.53) GPR119USP30ALDH1A1CHEK2NPC1
SCHEMBL24467408 0.88 GPR119 (0.57) GPR119USP30ALDH1A1PIK3CDCHEK2
SCHEMBL20168872 0.88 GPR119 (0.57) GPR119USP30ALDH1A1PIK3CDCHEK2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 — — US disclosed
US-20170065575-A1 NAMPT INHIBITORS ABBVIE INC (US) 2017-03-09 — — 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
US-20150141398-A1 NAMPT INHIBITORS ABBVIE INC. 2015-05-21 — — US disclosed
EP-2847192-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 — — EP 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
EP-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 — — EP disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 — — EP disclosed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 — — EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 — — US disclosed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 — — US disclosed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 — — WO disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 — — US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 — — WO disclosed
EP-0798295-B1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-02-26 — — EP disclosed
EP-0798295-A1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-01 — — 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-20150141398-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT GPR119 662/4885USP30 4391/4885ALDH1A1 1573/4885
US-20160184282-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT GPR119 662/4885USP30 4391/4885ALDH1A1 1573/4885
US-20170065575-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT GPR119 662/4885USP30 4391/4885ALDH1A1 1573/4885
US-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 GPR119 1940/4885USP30 2971/4885ALDH1A1 915/4885
US-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT GPR119 662/4885USP30 4391/4885ALDH1A1 1573/4885
US-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 GPR119 2534/4885USP30 3539/4885ALDH1A1 1361/4885
US-20130303510-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT GPR119 662/4885USP30 4391/4885ALDH1A1 1573/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT GPR119 662/4885USP30 4391/4885ALDH1A1 1573/4885

“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.