SCHEMBL1862935

SCHEMBL1862935

O=C(O)NN1CCNc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.46
AVPR2 P30518 1/20 0.39
MMP2 P08253 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
HSD17B3 P37058 1/20 0.37
BRD4 O60885 1/20 0.37
MMP9 P14780 1/20 0.36
ADAM17 P78536 1/20 0.36
HSD11B1 P28845 1/20 0.36
MAPK1 P28482 1/20 0.36
BRPF1 P55201 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
GPR6 P46095 1/20 0.35
PIM1 P11309 1/20 0.35
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9828967 0.80 AVPR1A (0.40) AVPR1AAVPR2MMP2GPBAR1HSD17B3
SCHEMBL3661398 0.79 MAPK1 (0.50) AVPR1AMAPK1PIM1
SCHEMBL28297314 0.75 AVPR1A (0.38) AVPR1AAVPR2MMP2GPBAR1HSD17B3
SCHEMBL29941296 0.75 AVPR1A (0.56) AVPR1AAVPR2GPBAR1HSD17B3HSD11B1
SCHEMBL3663893 0.75 AVPR1A (0.56) AVPR1AAVPR2GPBAR1HSD17B3HSD11B1
SCHEMBL29985725 0.71 ALDH1A1 (0.51) ALDH1A1LMNAHPGDGAASMN1; SMN2
SCHEMBL7126729 0.71 ALDH1A1 (0.51) ALDH1A1LMNAHPGDGAASMN1; SMN2
SCHEMBL9650548 0.71 ALDH1A1 (0.36) ALDH1A1GAA
SCHEMBL28092685 0.71 KMT2A (0.46) AVPR1AMMP2HSD17B3BRD4MMP9
SCHEMBL30379071 0.71 HTT (0.57) AVPR1AAVPR2GPBAR1HSD17B3BRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947834-B2 Substituted quinoxalines, their preparation and their therapeutical use as 11βHSD1 modulators SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2009-07-09 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-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE HSD11B1, HSD3B1, ADH1C AVPR1A 107/4885AVPR2 168/4885MMP2 444/4885

“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.