SCHEMBL3662166

SCHEMBL3662166

O=C(O)N1CCN(c2ccc(N3CCNCC3)cc2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTR3A P46098 5/20 0.51
ADRB1 P08588 4/20 0.51
HTR3E A5X5Y0 3/20 0.51
HTR3B O95264 3/20 0.51
HTR3D Q70Z44 3/20 0.51
HTR3C Q8WXA8 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
HTR6 P50406 5/20 0.48
HSD11B1 P28845 1/20 0.47
LTA4H P09960 1/20 0.47
HTR1A P08908 4/20 0.41
HTR5A P47898 2/20 0.41
HTR7 P34969 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.40

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 0.84 HSD11B1 (0.56) ALDH1A1TSHRHSD11B1
SCHEMBL3663903 0.84 HSD11B1 (0.46) ALDH1A1USP2TSHRHSD17B10HTR3A
SCHEMBL8511563 0.84 HSD11B1 (0.65) ALDH1A1USP2TSHRHSD17B10HTR3A
SCHEMBL3660276 0.83 HSD11B1 (0.47) ALDH1A1USP2TSHRHSD17B10HSD11B1
SCHEMBL3666555 0.83 HSD11B1 (0.46) ALDH1A1USP2TSHRHSD17B10HTR6
SCHEMBL9982392 0.82 KDM4E (0.52) ALDH1A1USP2TSHRHSD17B10HSD11B1
SCHEMBL3657790 0.82 HSD11B1 (0.52) ALDH1A1USP2TSHRHSD17B10HSD11B1
SCHEMBL974103 0.81 HDAC1 (0.44) ALDH1A1USP2TSHRHSD17B10HTR3A
SCHEMBL3660269 0.81 HSD11B1 (0.46) ALDH1A1USP2TSHRHSD17B10HSD11B1
SCHEMBL974217 0.81 HSD11B1 (0.44) ALDH1A1USP2HSD11B1

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 ALDH1A1 936/4885USP2 292/4885TSHR 3515/4885

“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.