SCHEMBL10203077

SCHEMBL10203077

CC(C)CCOc1nccc(OCC(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.38
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ LIPE Q05469 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL15677614 0.84 NUDT1 (0.41) NUDT1CYP2C19MEN1KMT2ACYP1A2
SCHEMBL28259128 0.83 NUDT1 (0.43) NUDT1CYP2C19MEN1KMT2ACYP1A2
SCHEMBL10203043 0.82 TDP1 (0.38) TDP1FFAR4TLR8MCHR1EPHX2
SCHEMBL10203067 0.79 FFAR4 (0.39) KMT2ATDP1FFAR4TLR8MCHR1
SCHEMBL10203082 0.79 RXRA (0.39) MEN1KMT2ATDP1FFAR4TLR8
SCHEMBL10203065 0.77 SMN1; SMN2 (0.36) TDP1FFAR4TLR8MCHR1SMN1; SMN2
SCHEMBL10203064 0.76 ACACB (0.40) FFAR4
SCHEMBL28020336 0.75 RXRA (0.46) NUDT1CYP2C19MEN1KMT2ACYP1A2
SCHEMBL15999367 0.74 NUDT1 (0.42) NUDT1NR1H2NR1H3CYP2C19MEN1
SCHEMBL10203049 0.72 SCN9A (0.43) CYP2C19MEN1KMT2ACYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 — — US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 — — US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 — — US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 — — US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 — — 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E NUDT1 1838/4885NR1H2 1383/4885NR1H3 2227/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E NUDT1 1838/4885NR1H2 1383/4885NR1H3 2227/4885

“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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