SCHEMBL3720005

SCHEMBL3720005

CC(C)(C)OC(=O)NCCC1CCNc2c(Br)cccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.38
▸ MTNR1B P49286 6/20 0.38
▸ CA1 P00915 7/20 0.37
▸ CA2 P00918 7/20 0.37
▸ CA12 O43570 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL13769765 0.89 ACACB (0.39) MTNR1AMTNR1BMEN1NPC1HTT
SCHEMBL20438815 0.80 TRPV1 (0.40) MTNR1AMTNR1BEPHX1NQO2
SCHEMBL3666516 0.79 EPHX2 (0.41) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL20438820 0.79 FPR3 (0.39) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL13751294 0.74 AAK1 (0.39) CA1CA2CA9IDO1MEN1
SCHEMBL20505740 0.73 EPHX2 (0.50) MTNR1AMTNR1BBCHEIDO1
SCHEMBL29572544 0.73 EPHX2 (0.50) MTNR1AMTNR1BBCHEIDO1
SCHEMBL29960099 0.71 MTNR1A (0.45) MTNR1AMTNR1BEPHX1IDO1
SCHEMBL20438819 0.71 MTNR1A (0.40) MTNR1AMTNR1BEPHX1BCHEFPR3
SCHEMBL6797874 0.68 EPHX1 (0.47) EPHX1DDB1CRBNMEN1KMT2A

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
EP-2231668-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GlaxoSmithKline LLC (US) 2010-09-29 — — EP disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 — — US disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 — — US disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 — — 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 (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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS MTNR1A 3712/4885MTNR1B 4047/4885CA1 4301/4885

“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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