SCHEMBL10170779

SCHEMBL10170779

[C-]#[N+]c1ccc2c(c1)C1CCC2c2cc(C#N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRND Q07001 1/20 0.40
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CYP11B2 P19099 4/20 0.31
CYP11B1 P15538 2/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL10214252 0.85 CHRNA1 (0.50) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL13037664 0.82 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL3594003 0.70 ENPP2 (0.44) DRD2DRD3
SCHEMBL29953534 0.70 ENPP2 (0.44) DRD2DRD3
SCHEMBL12887885 0.69 CASP3 (0.34) DRD2DRD3
SCHEMBL324969 0.69 CA2 (0.46)
SCHEMBL13037654 0.68 CYP11B1 (0.38) SLC6A2SLC6A4SLC6A3CYP11B2CYP11B1
SCHEMBL16905570 0.66 CHRNA1 (0.65) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL12260031 0.66 CA1 (0.41) SLC6A2SLC6A4SLC6A3CYP11B2CYP11B1
SCHEMBL12277706 0.66 CA1 (0.41) SLC6A2SLC6A4SLC6A3CYP11B2CYP11B1

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-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 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 (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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC SLC6A2 4750/4885SLC6A4 4698/4885SLC6A3 4345/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 SLC6A2 4783/4885SLC6A4 4801/4885SLC6A3 4489/4885

“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.