SCHEMBL5484862

SCHEMBL5484862

CCN(CC)C(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.60
OPRD1 P41143 1/20 0.60
OPRK1 P41145 1/20 0.60
MAOA P21397 3/20 0.59
HPGD P15428 7/20 0.58
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ENPP2 Q13822 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
HSP90AA1 P07900 5/20 0.50
HSP90AB1 P08238 5/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
ITK Q08881 1/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
BLM P54132 1/20 0.47
ALOX12 P18054 1/20 0.45

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
SCHEMBL3431117 0.88 MAOA (0.59) OPRM1OPRD1OPRK1MAOAHPGD
SCHEMBL828241 0.82 ALDH1A1 (0.64) MAOAHPGDALDH1A1HSD17B10KDM4E
SCHEMBL9188069 0.79 HSP90AA1 (0.62) HPGDALDH1A1HSP90AA1HSP90AB1LMNA
SCHEMBL17742727 0.79 ALDH1A1 (0.64) MAOAHPGDALDH1A1HSD17B10KDM4E
SCHEMBL7884484 0.78 ALDH1A1 (0.54) OPRM1OPRD1OPRK1MAOAHPGD
SCHEMBL217685 0.77 ALDH1A1 (0.57) MAOAHPGDALDH1A1HSD17B10KDM4E
SCHEMBL30440183 0.77 ALDH1A1 (0.57) MAOAHPGDALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL7885091 0.77 ALDH1A1 (0.53) OPRM1OPRD1OPRK1MAOAHPGD
SCHEMBL121922 0.76 ALDH1A1 (0.70) MAOAHPGDALDH1A1HSD17B10KDM4E
SCHEMBL827814 0.76 ALDH1A1 (0.60) MAOAHPGDALDH1A1HSD17B10KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605758-A Methods of treating hepatitis C PTC THERAPEUTICS INC (US) 2009-12-16 CN disclosed
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 OPRM1 199/4885OPRD1 24/4885OPRK1 29/4885

“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.