SCHEMBL1379079

SCHEMBL1379079

N#Cc1cccc(N2CCN(C(=O)c3[nH]c(O)nc3-c3ccccc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.48
SLC6A7 Q99884 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
CHRM4 P08173 2/20 0.44
MGLL Q99685 1/20 0.43
NOTUM Q6P988 1/20 0.43
PHGDH O43175 1/20 0.42
TACR3 P29371 1/20 0.42
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR1 P03372 1/20 0.41
NAMPT P43490 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1381981 0.89 SMO (0.48) SMOSLC6A7DRD2DRD3CHRM4
SCHEMBL1385029 0.87 SMO (0.46) SMOSLC6A7DRD2DRD3CHRM4
SCHEMBL1384319 0.87 TAAR1 (0.55) SMOSLC6A7DRD2DRD3CHRM4
SCHEMBL1385439 0.84 USP2 (0.48) SLC6A7MGLLTACR3MAPTUSP2
SCHEMBL6496505 0.83 SMO (0.49) SMOSLC6A7DRD2DRD3CHRM4
SCHEMBL5761581 0.83 MGLL (0.47) SLC6A7MGLLTACR3MAPTUSP2
SCHEMBL5760301 0.78 SMO (0.48) SMOSLC6A7DRD2DRD3CHRM4
SCHEMBL1381842 0.77 SMO (0.48) SMOSLC6A7DRD2DRD3CHRM4
SCHEMBL1384991 0.77 PHGDH (0.46) SMOSLC6A7DRD2DRD3CHRM4
SCHEMBL1382820 0.77 SMO (0.49) SMOSLC6A7DRD2DRD3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805813-B2 2011-11-02 JP claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 WO claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC SMO 2088/4885SLC6A7 4305/4885DRD2 1689/4885

“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.