SCHEMBL14849286

SCHEMBL14849286

CC(=O)N1CCN(C)CC1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
ACE P12821 3/20 0.35
AGTR2 P50052 3/20 0.35
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL27128389 0.86 ATM (0.37) ATMCYP1A2TDP1ACEAGTR2
SCHEMBL25411860 0.86 ATM (0.37) ATMCYP1A2TDP1ACEAGTR2
SCHEMBL15451940 0.82 CYP1A2 (0.39) ATMCYP1A2TDP1POLBMMP2
SCHEMBL2160091 0.80 AGTR2 (0.49) ATMCYP1A2TDP1POLBAGTR2
SCHEMBL31597599 0.79 TSHR (0.46) ATMACEAGTR2TSHRALDH1A1
SCHEMBL15432286 0.79 CYP1A2 (0.36) ATMCYP1A2TDP1POLBMMP2
Alcohol SCHEMBL28298325 0.79 ACE (0.36) ATMACEAGTR2REN
SCHEMBL15451941 0.79 CYP1A2 (0.36) ATMCYP1A2TDP1POLBMMP2
SCHEMBL15451938 0.79 MMP2 (0.51) CYP1A2TDP1MMP2ANPEP
SCHEMBL26089875 0.78 ATM (0.47) ATMCYP1A2TDP1POLBAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751873-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2017-09-05 US disclosed
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-10-27 US disclosed
US-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-06-16 US disclosed
US-9233965-B2 3,4-dihydropyrrolo[1,2-A]pyrazine-2,8(1H)-dicarboxamide derivatives, preparation thereof and therapeutic use thereof for diseases involving casein kinase 1 epsilon and/or casein kinase 1 delta SANOFI (FR) 2016-01-12 US disclosed
US-9115101-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2015-08-25 US disclosed
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-07-16 US disclosed
WO-2015104353-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 WO disclosed
WO-2015104356-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 WO disclosed
US-20140336189-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-11-13 US disclosed
US-8791119-B2 3,4-dihydropyrrolo[1,2-A]pyrazine-2,8(1H)-dicarboxamide derivatives, preparation thereof and therapeutic use thereof for diseases involving casein kinase 1 epsilon and/or casein kinase 1 delta SANOFI (FR) 2014-07-29 US disclosed
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH INC (US) 2014-01-30 US disclosed
WO-2014009447-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed
US-20130090340-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-04-11 US 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 (6 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-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA ATM 4509/4885CYP1A2 97/4885TDP1 4617/4885
US-20130090340-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCN1, HCN2 ATM 4641/4885CYP1A2 533/4885TDP1 2997/4885
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA ATM 4509/4885CYP1A2 97/4885TDP1 4617/4885
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB ATM 4783/4885CYP1A2 477/4885TDP1 4650/4885
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA ATM 4525/4885CYP1A2 97/4885TDP1 4638/4885
US-20140336189-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCN1, HCN2 ATM 4641/4885CYP1A2 533/4885TDP1 2997/4885

“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.