SCHEMBL8511563

SCHEMBL8511563

O=C(O)N1CCN(c2ccc(N3CCNCC3)cn2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.65
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HSD11B2 P80365 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HDAC1 Q13547 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
SCHEMBL3662022 0.86 HSD11B1 (0.77) HSD11B1ALDH1A1HSD17B10HSD11B2
SCHEMBL8511324 0.86 HSD11B1 (0.65) HSD11B1HSD11B2HDAC1
SCHEMBL9982812 0.85 HSD11B1 (0.64) HSD11B1HSD11B2OPRM1OPRL1HDAC1
SCHEMBL9982521 0.84 HSD11B1 (0.63) HSD11B1HSD11B2HDAC1
SCHEMBL8508961 0.84 HSD11B1 (0.63) HSD11B1HSD11B2HDAC1
SCHEMBL3668822 0.84 HSD11B1 (0.66) HSD11B1ALDH1A1HSD17B10HSD11B2
SCHEMBL9982587 0.84 HSD11B1 (0.63) HSD11B1HSD11B2HDAC1
SCHEMBL975330 0.84 HSD11B1 (0.48) HSD11B1CHRNB2CHRNA4HSD11B2HDAC1
SCHEMBL3662166 0.84 ALDH1A1 (0.55) HSD11B1USP2ALDH1A1TSHRHSD17B10
SCHEMBL3715925 0.83 HSD11B1 (0.64) HSD11B1HSD11B2

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 3 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 disclosed
US-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US disclosed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 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-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 HSD11B1 1963/4885USP2 3424/4885ALDH1A1 2945/4885

“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.