SCHEMBL3663680

SCHEMBL3663680

O=C(O)N1CCN(c2ccc(N3CCN(S(=O)(=O)N4CCOCC4)CC3)cc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.52
MAPT P10636 4/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.42
AKR1C3 P42330 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3664800 0.88 HSD11B1 (0.56) HSD11B1MAPTCYP2C9CYP2C19LMNA
SCHEMBL975783 0.84 HSD11B1 (0.59) HSD11B1MAPTCYP2C9ALDH1A1SMN1; SMN2
SCHEMBL3664994 0.84 HSD11B1 (0.46) HSD11B1MAPTLMNAALDH1A1TP53
SCHEMBL3663979 0.83 HSD11B1 (0.51) HSD11B1MAPTSMN1; SMN2TSHRTP53
SCHEMBL3663624 0.83 KMT2A (0.49) HSD11B1MAPTLMNAALDH1A1TSHR
SCHEMBL27809412 0.82 HSD11B1 (0.44) HSD11B1MAPTCYP2C9CYP2C19LMNA
SCHEMBL9982524 0.81 NAMPT (0.50) HSD11B1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL3663446 0.81 HSD11B1 (0.45) HSD11B1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9982741 0.81 HSD11B1 (0.48) HSD11B1MAPTSMN1; SMN2TSHRTP53
SCHEMBL3664321 0.81 HSD11B1 (0.44) HSD11B1LMNAPOLBTP53

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 10 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-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO 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
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 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-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HSD11B1 2913/4885MAPT 1302/4885CYP2C9 940/4885

“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.