SCHEMBL6468865

SCHEMBL6468865

CCc1ccc(-c2noc(C3CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
GAA P10253 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL31375520 0.84 RAB9A (0.60) RAB9ANPC1CA12CA1CA2
SCHEMBL12188551 0.82 NPC1 (0.85) RAB9ANPC1CA12CA1CA2
SCHEMBL3133411 0.81 NPC1 (0.68) RAB9ANPC1CA12CA1CA2
Hydrochloric Acid SCHEMBL31618601 0.81 CA12 (0.57) RAB9ANPC1CA12CA1CA2
SCHEMBL1313667 0.79 NPC1 (0.65) RAB9ANPC1CA12CA1CA2
SCHEMBL25338113 0.79 CA12 (0.66) RAB9ANPC1CA12CA1CA2
SCHEMBL21889825 0.79 CA12 (0.61) RAB9ANPC1CA12CA1CA2
SCHEMBL12478358 0.79 RAB9A (0.85) RAB9ANPC1CA12CA1CA2
SCHEMBL15909580 0.79 RAB9A (0.68) RAB9ANPC1CA12CA1CA2
SCHEMBL16945676 0.78 SPHK2 (0.69) RAB9ANPC1L3MBTL1GAAMAPT

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-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 RAB9A 2153/4885NPC1 2064/4885CA12 4670/4885

“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.