SCHEMBL1382166

SCHEMBL1382166

N#Cc1cccc(N2CCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
DRD3 P35462 2/20 0.48
ALDH1A1 P00352 4/20 0.47
USP2 O75604 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMO Q99835 1/20 0.47
SLC6A9 P48067 1/20 0.46
NOTUM Q6P988 1/20 0.46
SLC6A7 Q99884 2/20 0.45
CHRM4 P08173 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
POLB P06746 1/20 0.43
NAMPT P43490 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL6495850 0.84 ALDH1A1 (0.66) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL1382820 0.83 SMO (0.49) DRD2DRD3ALDH1A1USP2TSHR
SCHEMBL6502353 0.83 NOTUM (0.44) DRD2DRD3ALDH1A1USP2TSHR
SCHEMBL1381685 0.82 USP2 (0.52) DRD2ALDH1A1USP2TSHRMEN1
SCHEMBL1383360 0.82 NOTUM (0.46) DRD2DRD3ALDH1A1USP2TSHR
SCHEMBL5760301 0.82 SMO (0.48) DRD2DRD3ALDH1A1USP2TSHR
SCHEMBL6494963 0.80 DRD2 (0.43) DRD2DRD3ALDH1A1USP2TSHR
SCHEMBL1380695 0.80 SLC6A9 (0.45) DRD2DRD3ALDH1A1USP2TSHR
SCHEMBL5763718 0.77 DRD2 (0.60) DRD2DRD3USP2TSHRNOTUM
SCHEMBL5821456 0.77 DRD2 (0.55) DRD2DRD3CHRM4

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 DRD2 1689/4885DRD3 1681/4885ALDH1A1 240/4885

“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.