SCHEMBL13879636

SCHEMBL13879636

CN(C)c1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccoc3)CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
CCR2 P41597 5/20 0.44
ITGAL P20701 4/20 0.42
GPR183 P32249 2/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ITGB2 P05107 3/20 0.39
ICAM1 P05362 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13879638 0.80 NPC1 (0.62) NPC1RAB9ATDP1CCR2ITGAL
SCHEMBL13879634 0.77 RAB9A (0.73) NPC1RAB9ATDP1ITGALMAOB
SCHEMBL13879635 0.77 ALDH1A1 (0.56) NPC1RAB9ATDP1ITGALGPR183
SCHEMBL6495207 0.76 CAPN1 (0.49) NPC1RAB9ATDP1CCR2ITGAL
SCHEMBL6495203 0.76 CAPN1 (0.49) NPC1RAB9ATDP1CCR2ITGAL
SCHEMBL8296935 0.76 CAPN1 (0.49) NPC1RAB9ATDP1CCR2ITGAL
SCHEMBL6498794 0.74 CAPN1 (0.49) NPC1RAB9ATDP1CCR2MAOB
SCHEMBL6498797 0.74 CAPN1 (0.49) NPC1RAB9ATDP1CCR2MAOB
SCHEMBL19508587 0.70 HSD17B3 (0.54) NPC1RAB9ATDP1POLBALDH1A1
SCHEMBL5324726 0.69 NPC1 (0.66) NPC1RAB9ATDP1CCR2ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 NPC1 680/4885RAB9A 3148/4885TDP1 3859/4885

“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.