SCHEMBL6507424

SCHEMBL6507424

Fc1ccc(OCCc2c[c]ccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 5/20 0.42
MAOA P21397 2/20 0.42
FFAR1 O14842 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL15940427 0.86 NPC1 (0.51) NPC1RAB9ACA12CA1CA2
SCHEMBL6507309 0.85 MAOB (0.50) CA12CA1CA2CA7CA9
SCHEMBL3385762 0.83 MAOB (0.48) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL3033194 0.80 TAAR1 (0.43) MAOB
SCHEMBL6976874 0.79 MAOB (0.46) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL15079872 0.78 NPC1 (0.69) NPC1RAB9ACA12CA1CA2
SCHEMBL7838283 0.78 KCNH2 (0.54)
SCHEMBL921154 0.76 NPC1 (0.51) NPC1RAB9ACA12CA1CA2
SCHEMBL15079869 0.76 MAOB (0.58) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL5535693 0.75 MAOB (0.46) NPC1RAB9ACYP1A2CYP2D6CYP2C19

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
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO claimed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 NPC1 239/4885RAB9A 3180/4885CA12 1228/4885

“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.