SCHEMBL6502353

SCHEMBL6502353

N#Cc1cccc(N2CCN(C(=O)c3cn(CCO)cc3-c3ccccc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
DRD2 P14416 3/20 0.44
SMO Q99835 1/20 0.43
CHRM4 P08173 2/20 0.43
SLC6A9 P48067 1/20 0.43
ALDH1A1 P00352 5/20 0.43
DRD3 P35462 2/20 0.43
USP2 O75604 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A7 Q99884 1/20 0.42
LMNA P02545 2/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL1383360 0.92 NOTUM (0.46) NOTUMDRD2SMOCHRM4SLC6A9
SCHEMBL6506210 0.85 CHRM4 (0.42) NOTUMDRD2SMOCHRM4SLC6A9
SCHEMBL5760591 0.84 USP2 (0.47) DRD2ALDH1A1DRD3USP2TSHR
SCHEMBL1384516 0.83 ABCG2 (0.48) SMOCHRM4ALDH1A1MEN1KMT2A
SCHEMBL1382166 0.83 DRD2 (0.48) NOTUMDRD2SMOCHRM4SLC6A9
SCHEMBL6494963 0.82 DRD2 (0.43) NOTUMDRD2SMOCHRM4SLC6A9
SCHEMBL1380695 0.82 SLC6A9 (0.45) NOTUMDRD2SMOCHRM4SLC6A9
SCHEMBL5760134 0.79 LMNA (0.46) DRD2ALDH1A1USP2TSHRMEN1
SCHEMBL1381849 0.78 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL1382820 0.76 SMO (0.49) NOTUMDRD2SMOCHRM4ALDH1A1

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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC NOTUM 3896/4885DRD2 1689/4885SMO 2088/4885

“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.