SCHEMBL24410

SCHEMBL24410

CC(C)(C)ON=C1CCC(N(C(=O)O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 7/20 0.36
MAPT P10636 5/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
MMP14 P50281 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.33
TLR9 Q9NR96 1/20 0.33
NR1D1 P20393 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2382981 0.79 CHRM2 (0.52) CHRM2CHRM3L3MBTL1ALDH1A1MAPT
SCHEMBL2383571 0.76 CHRM2 (0.50) CHRM2CHRM3L3MBTL1NPC1POLB
SCHEMBL3932150 0.73 ALDH1A1 (0.45) CHRM2CHRM3L3MBTL1POLBALDH1A1
SCHEMBL14849363 0.72 MGLL (0.42) L3MBTL1NPC1POLBRAB9AALDH1A1
SCHEMBL6121889 0.65 SLC6A3 (0.40) CHRM2CHRM3ALDH1A1MAPTMEN1
SCHEMBL27959469 0.64 ALDH1A1 (0.55) CHRM2CHRM3L3MBTL1NPC1RAB9A
SCHEMBL1035190 0.63 ALDH1A1 (0.41) CHRM2CHRM3L3MBTL1NPC1RAB9A
SCHEMBL7368767 0.62 MEN1 (0.61) CHRM2CHRM3NPC1RAB9AALDH1A1
SCHEMBL6916032 0.62 ALDH1A1 (0.48) L3MBTL1POLBALDH1A1MAPTCRHBP
SCHEMBL1532324 0.61 ALDH1A1 (0.58) L3MBTL1ALDH1A1MAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588480-B1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP 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-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
EP-2588480-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF& xA; SANOFI (FR) 2013-05-08 EP 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
WO-2011161537-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 WO 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 (2 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-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 CHRM2 406/4885CHRM3 448/4885L3MBTL1 3173/4885
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 CHRM2 406/4885CHRM3 448/4885L3MBTL1 3173/4885

“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.