SCHEMBL1380080

SCHEMBL1380080

CC(O)n1ccc(C(=O)N2CCN(c3cccc(C#N)c3)CC2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
NOTUM Q6P988 2/20 0.41
SLC6A7 Q99884 1/20 0.41
DRD2 P14416 3/20 0.41
CHRM4 P08173 2/20 0.41
SLC6A9 P48067 1/20 0.41
DRD3 P35462 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
NAMPT P43490 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 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
SCHEMBL1382320 0.85 TSHR (0.47) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL5820248 0.84 CHRM4 (0.39) SMOALDH1A1MEN1KMT2ATSHR
SCHEMBL6494963 0.81 DRD2 (0.43) SMOALDH1A1MEN1KMT2AUSP2
SCHEMBL1380695 0.81 SLC6A9 (0.45) SMOALDH1A1MEN1KMT2AUSP2
SCHEMBL1382820 0.76 SMO (0.49) SMOALDH1A1MEN1KMT2AUSP2
SCHEMBL1382166 0.76 DRD2 (0.48) SMOALDH1A1MEN1KMT2AUSP2
SCHEMBL6494220 0.75 CHRM4 (0.42) SMOTSHRNOTUMSLC6A7DRD2
SCHEMBL5749816 0.74 SMO (0.44) SMOALDH1A1MEN1KMT2AUSP2
SCHEMBL1383360 0.73 NOTUM (0.46) SMOALDH1A1MEN1KMT2AUSP2
SCHEMBL21169266 0.73 DRD2 (0.55) ALDH1A1TSHRNOTUMDRD2CHRM4

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 2088/4885ALDH1A1 240/4885MEN1 1456/4885

“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.