SCHEMBL3662764

SCHEMBL3662764

CC(C)(C)C(=O)N1CCN(c2ccc(N3CCN(C(=O)O)c4ccccc43)nc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.62
HSD11B2 P80365 1/20 0.47
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
DCTPP1 Q9H773 1/20 0.44
PDK2 Q15119 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL3668822 0.88 HSD11B1 (0.66) HSD11B1HSD11B2CKS1BSKP1SKP2
SCHEMBL3663237 0.87 HSD11B1 (0.64) HSD11B1HSD11B2NPC1RAB9AKMT2A
SCHEMBL3665770 0.84 HSD11B1 (0.61) HSD11B1HSD11B2NPC1RAB9AKMT2A
SCHEMBL9982588 0.84 HSD11B1 (0.60) HSD11B1HSD11B2NPC1RAB9AKMT2A
SCHEMBL9982886 0.83 HSD11B1 (0.65) HSD11B1HSD11B2KMT2A
SCHEMBL3715925 0.83 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL3659042 0.83 HSD11B1 (0.59) HSD11B1HSD11B2RAB9AKMT2A
SCHEMBL3663703 0.83 HSD11B1 (0.59) HSD11B1HSD11B2NPC1RAB9AKMT2A
SCHEMBL3664472 0.82 HSD11B1 (0.63) HSD11B1HSD11B2NPC1RAB9AKMT2A
SCHEMBL28787535 0.82 HSD11B1 (0.63) HSD11B1HSD11B2NPC1RAB9AKMT2A

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
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-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 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
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 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 (2 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-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSD11B1 273/4885HSD11B2 119/4885CKS1B 2312/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HSD11B1 2913/4885HSD11B2 3024/4885CKS1B 3320/4885

“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.