SCHEMBL9982199

SCHEMBL9982199

O=C(O)N1CCN(c2ccc(N3CCC4(CC3)OCCO4)cc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.48
LGMN Q99538 1/20 0.45
F12 P00748 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PTPN11 Q06124 1/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL8510375 0.86 HSD11B1 (0.65) HSD11B1LGMNF12SMN1; SMN2NPC1
SCHEMBL3664800 0.84 HSD11B1 (0.56) HSD11B1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3660269 0.84 HSD11B1 (0.46) HSD11B1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL973406 0.83 KDM1A (0.43) HSD11B1LGMNF12SMN1; SMN2NPC1
SCHEMBL3660276 0.78 HSD11B1 (0.47) HSD11B1SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL3662166 0.78 ALDH1A1 (0.55) HSD11B1HSD17B10ALDH1A1TSHRUSP2
SCHEMBL9982392 0.77 KDM4E (0.52) HSD11B1SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL3657790 0.77 HSD11B1 (0.52) HSD11B1SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL3664881 0.76 HSD11B1 (0.77) HSD11B1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3663680 0.76 HSD11B1 (0.52) HSD11B1SMN1; SMN2ALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP claimed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US claimed
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8530657-B2 Substituted adamantanes and their therapeutic application SANOFI (FR) 2013-09-10 US disclosed
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-09-27 US disclosed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 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 (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-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HSD11B1 2913/4885LGMN 267/4885F12 2580/4885

“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.