SCHEMBL4328504

SCHEMBL4328504

CC(C)CCN(C)C(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CA1 P00915 3/20 0.36
NAMPT P43490 3/20 0.35
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
DPP4 P27487 2/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
BLM P54132 1/20 0.30

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
SCHEMBL15803263 0.86 NOS3 (0.38) ALDH1A1CA1CA12CA2CA9
SCHEMBL7942433 0.85 KDM4E (0.36) DPP4PREPFAPCHRNB2CHRNB4
SCHEMBL27057436 0.83 KDM4C (0.42) CA1KDM4CKDM4APHF8KDM2A
SCHEMBL23806119 0.83 KDM4C (0.42) CA1KDM4CKDM4APHF8KDM2A
SCHEMBL10127581 0.80 CA1 (0.41) ALDH1A1CA1CA12CA2CA9
SCHEMBL23975219 0.80 TDP1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23056505 0.79 NAMPT (0.35) ALDH1A1CA1NAMPTKDM4CCHRNB2
SCHEMBL24810541 0.79 TET2 (0.40) KDM4CKDM4AKDM2A
SCHEMBL12573374 0.79 DPP4 (0.38) DPP4
SCHEMBL15830431 0.79 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
US-20230167105-A1 BCL-2 PROTEIN INHIBITORS RECURIUM IP HOLDINGS, LLC 2023-06-01 US disclosed
US-20230167105-A1 BCL-2 PROTEIN INHIBITORS RECURIUM IP HOLDINGS, LLC 2023-06-01 US disclosed
EP-3684763-B1 PYRIMIDIN-4-CARBAMATE OR UREA DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-11-17 EP disclosed
WO-2019034688-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed
US-9927430-B2 Pro-substrates for live cell applications PROMEGA CORPORATION (US) 2018-03-27 US disclosed
US-9927430-B2 Pro-substrates for live cell applications PROMEGA CORPORATION (US) 2018-03-27 US disclosed
US-9630945-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-04-25 US disclosed
US-9630945-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-04-25 US disclosed
US-20170007614-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2017-01-12 US disclosed
US-20150307475-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2015-10-29 US disclosed
WO-2015116806-A1 PRO-SUBSTRATES FOR LIVE CELL APPLICATIONS PROMEGA CORPORATION (US) 2015-08-06 WO disclosed
US-20150212078-A1 PRO-SUBSTRATES FOR LIVE CELL APPLICATIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2015-07-30 US disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-20140171404-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171403-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 US disclosed
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 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-20150307475-A1 Autotaxin inhibitors ENPP2, ATXN10, ATXN2L ALDH1A1 3712/4885CA1 2346/4885NAMPT 1688/4885
US-20150212078-A1 PRO-SUBSTRATES FOR LIVE CELL APPLICATIONS PREP, SI, GLB1 ALDH1A1 3263/4885CA1 2987/4885NAMPT 1455/4885
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK ALDH1A1 4110/4885CA1 4819/4885NAMPT 2661/4885
US-20140171403-A1 Autotaxin inhibitors ENPP2, SERPINB1, TFPI ALDH1A1 4843/4885CA1 3524/4885NAMPT 790/4885
US-20230167105-A1 BCL-2 PROTEIN INHIBITORS BCL2, BCL2L1, BCL2L2 ALDH1A1 2821/4885CA1 2883/4885NAMPT 2681/4885
US-20140171404-A1 Autotaxin inhibitors ENPP2, ATXN10, ATXN2L ALDH1A1 4601/4885CA1 3013/4885NAMPT 1086/4885
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR ALDH1A1 1827/4885CA1 4370/4885NAMPT 2427/4885
US-20170007614-A1 Autotaxin inhibitors ENPP2, SERPINB1, TFPI ALDH1A1 4843/4885CA1 3524/4885NAMPT 790/4885

“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.