SCHEMBL1961157

SCHEMBL1961157

CC(C)CCn1ccc2nc(-c3ccccc3)nc-2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KMT2A Q03164 4/20 0.38
ACP1 P24666 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM2 Q14416 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.35
ADORA2B P29275 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1960624 0.82 PDE10A (0.40) NPC1RAB9ANR1H2NR1H3KMT2A
SCHEMBL1960975 0.80 L3MBTL1 (0.41) NPC1RAB9ANR1H2NR1H3KMT2A
SCHEMBL6432294 0.79 ADORA1 (0.47) NPC1RAB9ANR1H2NR1H3KMT2A
SCHEMBL1958693 0.77 ADORA3 (0.42) NPC1RAB9AKMT2AADORA3ADORA1
SCHEMBL1958384 0.77 NR1H3 (0.38) NPC1RAB9ANR1H2NR1H3KMT2A
SCHEMBL1959738 0.75 LTA4H (0.55) NPC1RAB9AKMT2AL3MBTL1TSHR
SCHEMBL1959384 0.75 ADORA3 (0.41) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL1411948 0.75 HPGDS (0.54) RAB9ANR1H2NR1H3KMT2AADORA3
SCHEMBL12767272 0.74 ACHE (0.50) NPC1RAB9ANR1H2NR1H3KMT2A
SCHEMBL1961068 0.73 CYP11B1 (0.50) NPC1RAB9ANR1H2NR1H3ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 NPC1 607/4885RAB9A 1537/4885NR1H2 2716/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE NPC1 562/4885RAB9A 2520/4885NR1H2 2225/4885

“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.