SCHEMBL188772

SCHEMBL188772

CC(C)(C)OC(=O)N1[CH]CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSK P43235 1/20 0.40
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
PREP P48147 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL22657953 0.98 HPGD (0.44) HPGDUSP2SMN1; SMN2CTSKESR2
SCHEMBL795243 0.94 USP2 (0.42) HPGDUSP2SMN1; SMN2CTSKESR2
SCHEMBL20265001 0.84 USP2 (0.46) HPGDUSP2SMN1; SMN2CTSKESR2
SCHEMBL31552232 0.82 HPGD (0.40) HPGDUSP2SMN1; SMN2CTSKESR2
SCHEMBL31551926 0.81 HPGD (0.42) HPGDUSP2SMN1; SMN2CTSKESR2
SCHEMBL361276 0.79 PKM (0.33) HPGDUSP2SMN1; SMN2KMT2AMAPK1
SCHEMBL2600436 0.76 USP2 (0.40) HPGDUSP2SMN1; SMN2CTSKESR2
SCHEMBL360407 0.76 TSHR (0.39) SMN1; SMN2MEN1KMT2AATM
SCHEMBL7450124 0.75 MEN1 (0.45) SMN1; SMN2MEN1KMT2AEPHX1
SCHEMBL7244913 0.75 RIPK1 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861070-A Synthesis method of alpha, beta-unsaturated acrylonitrile derivative by visible light catalysis 浙江工业大学 2021-12-31 CN claimed
EP-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 EP claimed
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP claimed
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US claimed
EP-3083561-B1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP claimed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 EP claimed
EP-2909193-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-04-19 EP claimed
EP-2909189-B1 HETEROARYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2016-12-28 EP claimed
EP-3083561-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORYT Janssen Pharmaceutica N.V. (BE) 2016-10-26 EP claimed
US-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat JANSSEN PHARMACEUTICA NV (BE) 2016-09-29 US claimed
US-20140107096-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US claimed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
US-7342027-B2 1-phenylpiperidin-3-one derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2008-03-11 US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
US-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof DONG-A PHARMACEUTICAL CO., LTD. (KR) 2005-10-20 US claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
WO-2004011457-A1 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2004-02-05 WO claimed
WO-2003045950-A1 PYRAZOLOPYRIDINE DERIVTIVES AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20160279122-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORgammat RORC, RORB, RORA HPGD 1821/4885USP2 3901/4885SMN1; SMN2 4445/4885
US-10369146-B2 Phenyl linked quinolinyl modulators of RORγt RORC, RORB, RORA HPGD 1994/4885USP2 4101/4885SMN1; SMN2 4423/4885
US-20140107096-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HPGD 2549/4885USP2 4135/4885SMN1; SMN2 4708/4885
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 HPGD 4570/4885USP2 1352/4885SMN1; SMN2 1277/4885
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HPGD 2168/4885USP2 3993/4885SMN1; SMN2 4233/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 HPGD 4570/4885USP2 1352/4885SMN1; SMN2 1277/4885
US-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof CTRL, PRCP, CLPP HPGD 842/4885USP2 570/4885SMN1; SMN2 4244/4885

“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.