SCHEMBL13424971

SCHEMBL13424971

C#CC1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PREP P48147 7/20 0.54
CYP2C19 P33261 1/20 0.52
ACE2 Q9BYF1 2/20 0.52
CTRB1 P17538 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL28928462 0.92 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL28928464 0.92 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL7286213 0.88 PREP (0.55) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL7286320 0.88 PREP (0.55) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL1437422 0.87 PREP (0.69) PREP
SCHEMBL943473 0.87 PREP (0.69) PREP
SCHEMBL1437419 0.87 PREP (0.69) PREP
SCHEMBL28779768 0.84 PREP (0.51) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL4959347 0.83 PREP (0.65) PREP
SCHEMBL812253 0.82 PREP (0.57) SMN1; SMN2NPC1RAB9APREPCYP2C19

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-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 SMN1; SMN2 441/4885NPC1 981/4885RAB9A 1092/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 SMN1; SMN2 441/4885NPC1 981/4885RAB9A 1092/4885

“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.