SCHEMBL1159962

SCHEMBL1159962

NC(=O)C12CC3C[C@@H]([CH][C@@](C(N)=O)(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
CRHR2 Q13324 1/20 0.30
MCOLN3 Q8TDD5 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
SCHEMBL1159963 1.00 PKM (0.31) PKMSMN1; SMN2LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL8508775 0.98 PKM (0.31) PKMSMN1; SMN2LMNA
SCHEMBL1161061 0.85 THRB (0.49) PKMALDH1A1CRHBPHTTCRHR2
SCHEMBL1160841 0.83 PKM (0.36) PKMSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3663767 0.81 KDM4E (0.37) PKMLMNAMEN1KMT2AALDH1A1
SCHEMBL1160005 0.80 PKM (0.38) PKMSMN1; SMN2ALDH1A1
SCHEMBL3666792 0.80 POLB (0.39) PKMLMNA
SCHEMBL1116542 0.80 PKM (0.38) PKMSMN1; SMN2ALDH1A1
SCHEMBL1161058 0.80 PKM (0.34) PKM
SCHEMBL3292472 0.79 DPP4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459549-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP disclosed
US-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US disclosed
EP-2459549-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-06 EP disclosed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US disclosed
WO-2011012801-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-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 PKM 3842/4885SMN1; SMN2 2896/4885LMNA 4191/4885

“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.