SCHEMBL10097596

SCHEMBL10097596

CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(N)c2ccc(OCCN(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.43
CHRM2 P08172 1/20 0.43
ACHE P22303 1/20 0.43
AGTR1 P30556 1/20 0.43
DRD3 P35462 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CACNA1B Q00975 3/20 0.37
CACNA1H O95180 2/20 0.37
ESR1 P03372 2/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36

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
SCHEMBL10097670 0.91 KCNH2 (0.47) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL10249355 0.89 NPC1 (0.42) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL10249405 0.89 NPC1 (0.42) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL13152238 0.88 LMNA (0.46) NPC1RAB9ALIMK1LMNAMAPK1
SCHEMBL10095673 0.86 CACNA1F (0.41) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL13152559 0.85 GRIK2 (0.46) NPC1RAB9ALIMK1LMNAMAPK1
SCHEMBL10097615 0.84 LTA4H (0.56) CHRM2ACHEDRD3KCNH2ESR1
SCHEMBL10097317 0.84 LTA4H (0.48) NPC1RAB9AESR1IKBKBLTA4H
SCHEMBL13153392 0.83 LTA4H (0.38) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL10097608 0.82 LTA4H (0.47) ACHENPC1RAB9AADORA2AADORA1

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
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CACNA1F 4639/4885CHRM2 4070/4885ACHE 972/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP CACNA1F 4801/4885CHRM2 4810/4885ACHE 2852/4885

“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.