SCHEMBL3664638

SCHEMBL3664638

CCC(CC)N1CCN(c2ccc(N3CCN(C(=O)O)c4ccccc43)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
OPRM1 P35372 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
HDAC4 P56524 1/20 0.41
MAPT P10636 3/20 0.40
NPY2R P49146 1/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
TSHR P16473 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
OPRD1 P41143 1/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAD52 P43351 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL3666422 0.86 HSD11B1 (0.61) HSD11B1OPRM1ALDH1A1KDM4ETP53
SCHEMBL3663624 0.82 KMT2A (0.49) HSD11B1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL3663546 0.79 HSD11B1 (0.47) HSD11B1ALDH1A1HRH3HDAC4MAPT
SCHEMBL3664800 0.78 HSD11B1 (0.56) HSD11B1ALDH1A1HDAC4MAPTKMT2A
SCHEMBL9982198 0.78 KDM4E (0.52) HSD11B1ALDH1A1KDM4ETP53KMT2A
SCHEMBL975783 0.78 HSD11B1 (0.59) HSD11B1ALDH1A1KDM4ETP53MAPT
SCHEMBL9982524 0.78 NAMPT (0.50) HSD11B1ALDH1A1HDAC4MAPTKMT2A
SCHEMBL3662110 0.78 HSD11B1 (0.45) HSD11B1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL3662166 0.77 ALDH1A1 (0.55) HSD11B1ALDH1A1TSHR
SCHEMBL3660276 0.77 HSD11B1 (0.47) HSD11B1ALDH1A1TP53MAPTKMT2A

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 12 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
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN 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
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN 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 2913/4885OPRM1 1052/4885ALDH1A1 936/4885

“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.