SCHEMBL13501940

SCHEMBL13501940

CN1CCN(c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)c3ccccc3n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.65
▸ CTSS P25774 1/20 0.55
▸ HRH4 Q9H3N8 3/20 0.34
▸ PRKCB P05771 2/20 0.31
▸ PRKCA P17252 2/20 0.31
▸ PRKCH P24723 2/20 0.31
▸ PRKCE Q02156 2/20 0.31
▸ PRKCQ Q04759 2/20 0.31
▸ PRKCD Q05655 2/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL8242256 0.97 CTSB (0.67) CTSBCTSSCYP3A4
SCHEMBL13501942 0.95 CTSB (0.65) CTSBCTSSPRKCBPRKCAPRKCH
SCHEMBL13501937 0.90 CTSB (0.71) CTSBCTSSCYP3A4
SCHEMBL8251811 0.89 CTSB (0.68) CTSBCTSSCYP3A4
SCHEMBL4599911 0.89 CTSB (0.68) CTSBCTSSCYP3A4
SCHEMBL2841189 0.88 CTSB (0.49) CTSBCTSSHRH4PRKCBPRKCA
SCHEMBL8248125 0.85 CTSB (0.64) CTSBCTSS
SCHEMBL4600660 0.85 CTSB (0.64) CTSBCTSS
SCHEMBL8249098 0.84 CTSS (0.69) CTSBCTSS
SCHEMBL3549335 0.83 CTSB (0.50) CTSBCTSSPRKCBPRKCAPRKCH

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-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — 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 (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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 CTSB 1213/4885CTSS 624/4885HRH4 81/4885

“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.

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