SCHEMBL5199183

SCHEMBL5199183

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(O)cc3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.42
NR1I2 O75469 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5934718 0.91 NR1H4 (0.42) SCN9ANR1I2RXFP1CNR1CNR2
SCHEMBL1173704 0.89 SCN9A (0.51) SCN9ANR1I2RXFP1CNR1CNR2
SCHEMBL14154179 0.88 SCN9A (0.40) SCN9ANR1I2CNR1CNR2ALDH1A1
SCHEMBL5198110 0.88 SCN9A (0.40) SCN9ANR1I2RXFP1CNR1CNR2
SCHEMBL5197808 0.87 SCN9A (0.38) SCN9ANR1I2RXFP1CNR1CNR2
SCHEMBL10293456 0.87 ALDH1A1 (0.41) SCN9ARXFP1CNR2ALDH1A1HPGD
SCHEMBL5196676 0.86 ALDH1A1 (0.43) SCN9ANR1I2RXFP1CNR1CNR2
SCHEMBL5434937 0.86 PTGS2 (0.46) SCN9ACNR1CNR2ALDH1A1HPGD
SCHEMBL5198176 0.85 GRIN1 (0.46) SCN9ACNR1CNR2ALDH1A1HPGD
SCHEMBL5217612 0.84 SCN9A (0.41) SCN9ANR1I2ALDH1A1GRIN2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 SCN9A 4015/4885NR1I2 95/4885RXFP1 4873/4885

“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.