SCHEMBL10203065

SCHEMBL10203065

CC(C)CCOc1nccc(OCC#N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ XDH P47989 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ ACACB O00763 2/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 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
SCHEMBL15677577 0.84 SMN1; SMN2 (0.39) SMN1; SMN2POLBALDH1A1GAAACACB
SCHEMBL10203043 0.82 TDP1 (0.38) SMN1; SMN2ALDH1A1TDP1TLR8MCHR1
SCHEMBL10203067 0.79 FFAR4 (0.39) XDHGAATDP1TLR8MCHR1
SCHEMBL10203082 0.79 RXRA (0.39) POLBXDHALDH1A1TDP1TLR8
SCHEMBL10203056 0.78 TDP1 (0.44) XDHTDP1TLR8MCHR1ACACB
SCHEMBL10203077 0.77 NUDT1 (0.38) SMN1; SMN2TDP1TLR8MCHR1FFAR4
SCHEMBL10203064 0.76 ACACB (0.40) FFAR4ACACBCCNA2CDK2CCNA1
SCHEMBL10203049 0.72 SCN9A (0.43) ALDH1A1GAATDP1MAPK1
SCHEMBL10203002 0.71 RXRA (0.43) TDP1TLR8MCHR1FFAR4ACACB
SCHEMBL19511333 0.70 TDP1 (0.41) SMN1; SMN2XDHTDP1TLR8MCHR1

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 SMN1; SMN2 1093/4885POLB 4824/4885XDH 1834/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E SMN1; SMN2 1093/4885POLB 4824/4885XDH 1834/4885

“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.

Send feedback