SCHEMBL6494963

SCHEMBL6494963

N#Cc1cccc(N2CCN(C(=O)c3ccn(CCO)c3-c3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
SMO Q99835 1/20 0.43
CHRM4 P08173 2/20 0.43
ALDH1A1 P00352 4/20 0.42
DRD3 P35462 3/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NOTUM Q6P988 1/20 0.41
SLC6A7 Q99884 1/20 0.41
SLC6A9 P48067 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KCNH2 Q12809 1/20 0.40
ESR1 P03372 1/20 0.40
NAMPT P43490 1/20 0.40
HSP90AA1 P07900 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL6502509 0.85 USP2 (0.47) DRD2ALDH1A1DRD3USP2TSHR
SCHEMBL6494220 0.84 CHRM4 (0.42) DRD2SMOCHRM4DRD3TSHR
SCHEMBL6502353 0.82 NOTUM (0.44) DRD2SMOCHRM4ALDH1A1DRD3
SCHEMBL1380080 0.81 SMO (0.43) DRD2SMOCHRM4ALDH1A1DRD3
SCHEMBL1382166 0.80 DRD2 (0.48) DRD2SMOCHRM4ALDH1A1DRD3
SCHEMBL5760197 0.79 LMNA (0.47) DRD2ALDH1A1USP2TSHRMEN1
SCHEMBL5760211 0.78 SMO (0.43) DRD2SMOCHRM4DRD3USP2
SCHEMBL1383360 0.77 NOTUM (0.46) DRD2SMOCHRM4ALDH1A1DRD3
SCHEMBL1382820 0.76 SMO (0.49) DRD2SMOCHRM4ALDH1A1DRD3
SCHEMBL5749816 0.74 SMO (0.44) DRD2SMOCHRM4ALDH1A1DRD3

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 DRD2 1689/4885SMO 2088/4885CHRM4 4347/4885

“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.