SCHEMBL19805352

SCHEMBL19805352

CCn1cc(F)c(C(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 3/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
COMT P21964 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL12299841 0.78 HTT (0.37) HTTSMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL16474376 0.78 HTT (0.33) HTTSMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL12507686 0.76 NPC1 (0.49) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17045437 0.76 RECQL (0.36) HTTSMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL19592225 0.76 L3MBTL1 (0.41) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23400503 0.76 HTT (0.36) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13255976 0.76 RAB9A (0.35) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20050020 0.72 PAK4 (0.34)
SCHEMBL29578926 0.72
SCHEMBL20086655 0.72 MPO (0.35) HTTSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 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-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB HTT 3484/4885SMN1; SMN2 2486/4885NPC1 1287/4885

“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.