SCHEMBL1160841

SCHEMBL1160841

CONC(=O)C12CC3[CH]C(C(N)=O)(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
GLA P06280 1/20 0.36
EPHX2 P34913 1/20 0.36
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
P2RX2 Q9UBL9 2/20 0.31
P2RX7 Q99572 2/20 0.31
P2RX5 Q93086 1/20 0.31
P2RX4 Q99571 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
MCOLN3 Q8TDD5 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
SCHEMBL1161061 0.86 THRB (0.49) PKMGLATHRBGAAALDH1A1
SCHEMBL1159963 0.83 PKM (0.31) PKMLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1159962 0.83 PKM (0.31) PKMLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8508775 0.82 PKM (0.31) PKMLMNASMN1; SMN2
SCHEMBL1161058 0.81 PKM (0.34) PKMTHRB
SCHEMBL3663767 0.80 KDM4E (0.37) PKMEPHX2THRBLMNAMEN1
SCHEMBL3294500 0.73 TSHR (0.36) PKM
SCHEMBL3666792 0.71 POLB (0.39) PKMTHRBLMNA
SCHEMBL1160005 0.71 PKM (0.38) PKMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1116542 0.71 PKM (0.38) PKMSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459548-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP claimed
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US claimed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 US claimed
EP-2459548-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP disclosed
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US disclosed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 US disclosed
EP-2459548-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-06 EP disclosed
WO-2011012800-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-02-03 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 (1 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-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NR2C2, CBR3, NR0B2 PKM 3001/4885GLA 4545/4885EPHX2 2241/4885

“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.