SCHEMBL6155394

SCHEMBL6155394

N[C@@H]1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TMEM97 Q5BJF2 3/20 0.43
HTR2B P41595 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
TSHR P16473 3/20 0.41
CHRM2 P08172 1/20 0.41
OPRM1 P35372 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 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
SCHEMBL6155401 1.00 ALDH1A1 (0.44) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL6155390 1.00 ALDH1A1 (0.44) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL17981181 0.90 MAPK1 (0.43) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL28449657 0.85 ALDH1A1 (0.42) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL17374534 0.84 ALDH1A1 (0.42) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL17374536 0.84 ALDH1A1 (0.42) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL30212234 0.84 ALDH1A1 (0.57) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL7201032 0.84 ALDH1A1 (0.57) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL2144064 0.80 ALDH1A1 (0.44) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL5415989 0.80 ALDH1A1 (0.44) ALDH1A1TMEM97HTR2BHTR3EHTR3B

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 ALDH1A1 2454/4885TMEM97 901/4885HTR2B 1897/4885

“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.