SCHEMBL10095673

SCHEMBL10095673

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
ACHE P22303 1/20 0.41
AGTR1 P30556 1/20 0.41
DRD3 P35462 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 6/20 0.41
NR3C1 P04150 4/20 0.41
NR3C2 P08235 4/20 0.41
AR P10275 3/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ESR1 P03372 2/20 0.37
MMP2 P08253 1/20 0.36
CDK4 P11802 1/20 0.35

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
SCHEMBL10095661 0.91 KCNH2 (0.45) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL979542 0.89 PGR (0.42) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL12108770 0.89 PGR (0.42) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL10095720 0.89 PGR (0.42) KCNH2PGRNR3C1NR3C2AR
SCHEMBL10095605 0.89 PGR (0.45) PGRNR3C1NR3C2ARNPC1
SCHEMBL14375943 0.88 NPC1 (0.42) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL10097596 0.86 CACNA1F (0.43) CACNA1FCHRM2ACHEAGTR1DRD3
SCHEMBL979541 0.86 GRIK2 (0.46) PGRNR3C1NR3C2ARCYP11B2
SCHEMBL14205155 0.85 PGR (0.39) PGRNR3C1NR3C2ARNPC1
SCHEMBL10095655 0.84 LTA4H (0.53) CHRM2DRD3KCNH2PGRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
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-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
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 CACNA1F 4844/4885CHRM2 4317/4885ACHE 4196/4885
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.