SCHEMBL10097670

SCHEMBL10097670

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
CHRM2 P08172 2/20 0.47
DRD3 P35462 2/20 0.47
CACNA1F O60840 1/20 0.47
ACHE P22303 1/20 0.47
AGTR1 P30556 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KAT2B Q92831 1/20 0.34
LTA4H P09960 1/20 0.34
ESR1 P03372 2/20 0.34
LIMK1 P53667 1/20 0.33
PGR P06401 2/20 0.33
KDR P35968 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL10097596 0.91 CACNA1F (0.43) KCNH2CHRM2DRD3CACNA1FACHE
SCHEMBL10095661 0.87 KCNH2 (0.45) KCNH2CHRM2DRD3CACNA1FACHE
SCHEMBL10249355 0.85 NPC1 (0.42) KCNH2CHRM2DRD3CACNA1FACHE
SCHEMBL10249405 0.85 NPC1 (0.42) KCNH2CHRM2DRD3CACNA1FACHE
SCHEMBL13152238 0.85 LMNA (0.46) NPC1RAB9ALIMK1PGRKDR
SCHEMBL13152559 0.84 GRIK2 (0.46) NPC1RAB9ALIMK1PGRKDR
SCHEMBL10097317 0.82 LTA4H (0.48) NPC1RAB9ALTA4HESR1GRIN1
SCHEMBL10097370 0.82 MTNR1A (0.37) RAB9AESR1LMNA
SCHEMBL10097615 0.81 LTA4H (0.56) KCNH2CHRM2DRD3ACHELTA4H
SCHEMBL10249443 0.79 LTA4H (0.47) ACHENPC1RAB9AKAT2BLTA4H

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
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
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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 KCNH2 3873/4885CHRM2 4070/4885DRD3 4256/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KCNH2 4859/4885CHRM2 4810/4885DRD3 4694/4885

“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.