SCHEMBL6370538

SCHEMBL6370538

CC(C)(C)c1noc(C2CCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL6371414 0.96 NPC1 (0.45) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL19625279 0.94 NPC1 (0.47) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL6370550 0.92 HCRTR1 (0.43) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13141290 0.85 HCRTR1 (0.42) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL13179274 0.84 HCRTR1 (0.39) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL12506048 0.84 PLAT (0.45) NPC1RAB9AHCRTR1HCRTR2GPR119
SCHEMBL17916109 0.82 GPR119 (0.40) NPC1RAB9AHCRTR1HCRTR2ALDH1A1
SCHEMBL6371826 0.77 CHRNA7 (0.39) HCRTR1HCRTR2GPR119CNR2DPP4
SCHEMBL4957148 0.74 NR1H4 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4957151 0.74 NR1H4 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 NPC1 2064/4885RAB9A 2153/4885CYP1A2 3438/4885

“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.