SCHEMBL5483907

SCHEMBL5483907

CCN(CC)C(=O)COc1cccc2cc[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
BCHE P06276 5/20 0.59
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
KEAP1 Q14145 1/20 0.41
PDPK1 O15530 1/20 0.40
LMNA P02545 1/20 0.39
BACE1 P56817 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
SCHEMBL30516781 0.80 KDM4E (0.57) BCHEKDM4ETDP1ALDH1A1KEAP1
SCHEMBL593890 0.79 BCHE (0.54) BCHEALDH1A1KEAP1PDPK1BACE1
SCHEMBL6496279 0.79 BCHE (0.57) BCHEKEAP1PDPK1LMNABACE1
SCHEMBL6015867 0.76 TSHR (0.53) TSHRBCHENPC1RAB9AKDM4E
SCHEMBL5479823 0.76 BCHE (0.49) TSHRBCHEKDM4EKEAP1PDPK1
SCHEMBL859924 0.73 BCHE (0.51) BCHEKEAP1
SCHEMBL5486616 0.73 KEAP1 (0.58) BCHERAB9AKDM4EKEAP1PDPK1
SCHEMBL30741576 0.73 BCHE (0.66) BCHEKDM4EACHEALDH1A1KEAP1
SCHEMBL837183 0.72 BCHE (0.50) BCHEGAATDP1
SCHEMBL5480477 0.71 TSHR (0.53) TSHRBCHEKDM4EACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-7115412-B2 Process for the preparation of optically active 7-substituted-3-(2-aminopropyl)indole derivatives and intermediates therefor MERCIAN CORPORATION (JP) 2006-10-03 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
US-20030181732-A1 Producing a tryptophan in the presence of a tryptophan-synthesizing enzyme originating in microorganisms, forming adrenergic receptors MERCIAN CORPORATION (JP) 2003-09-25 US disclosed
EP-1275730-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 7-SUBSTITUTED-3-(2-AMINOPROPYL)INDOLE DERIVATIVES AND INTERMEDIATES FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 2003-01-15 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 (2 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 TSHR 174/4885BCHE 1015/4885NPC1 2253/4885
US-20030181732-A1 Producing a tryptophan in the presence of a tryptophan-synthesizing enzyme originating in microorganisms, forming adrenergic receptors TPH1, TPH2, SRR TSHR 538/4885BCHE 267/4885NPC1 4654/4885

“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.