SCHEMBL6153323

SCHEMBL6153323

COc1cc(C(=O)O)ccc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.60
MCHR1 Q99705 3/20 0.60
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 1/20 0.57
LTA4H P09960 1/20 0.56
EZH2 Q15910 1/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL6153565 0.91 SIGMAR1 (0.59) SIGMAR1MCHR1ALDH1A1KDM4EGAA
SCHEMBL6154032 0.86 SLC6A12 (0.56) SIGMAR1MCHR1KDM4EGAATSHR
SCHEMBL8487979 0.83 ACHE (0.69) SIGMAR1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL18033383 0.82 HCAR3 (0.58) ALDH1A1KDM4ETSHRRAB9A
SCHEMBL5118863 0.81 KDM4E (0.54) SIGMAR1MCHR1ALDH1A1KDM4EGAA
SCHEMBL6154872 0.81 MEN1 (0.56) SIGMAR1MCHR1ALDH1A1KDM4EGAA
SCHEMBL2390512 0.80 KMT2A (0.70) SIGMAR1MCHR1ALDH1A1KDM4EDRD4
SCHEMBL1789399 0.80 MCHR1 (0.76) SIGMAR1MCHR1TSHRDRD2DRD4
SCHEMBL12427426 0.80 DRD4 (0.69) SIGMAR1MCHR1DRD2DRD4DRD3
SCHEMBL6153423 0.79 MCHR1 (0.62) SIGMAR1MCHR1TSHRLTA4HDRD2

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 SIGMAR1 695/4885MCHR1 1952/4885ALDH1A1 2454/4885

“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.