SCHEMBL12623806

SCHEMBL12623806

O=c1oc2ncccc2c2c3c4c(c(F)cc3n(Cc3cc(F)cc5c3OCOC5)c12)CCO4

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ USP2 O75604 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
SCHEMBL12623796 0.85 TSHR (0.41) TSHRHCRTR1HCRTR2NPC1POLB
SCHEMBL12623747 0.82 NOS2 (0.31) —
SCHEMBL12623848 0.81 CYP2C8 (0.37) RAB9A
SCHEMBL12623890 0.79 — —
SCHEMBL12624146 0.78 — —
SCHEMBL12388810 0.77 CYP2C8 (0.32) —
SCHEMBL12623755 0.76 TNIK (0.32) —
SCHEMBL12388809 0.75 CYP3A4 (0.33) NPC1RAB9ANPSR1
SCHEMBL12624035 0.75 PARP1 (0.36) —
SCHEMBL12624081 0.74 PARP1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 TSHR 2811/4885HCRTR1 232/4885HCRTR2 281/4885

“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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