SCHEMBL7115377

SCHEMBL7115377

COC1(OC)CCN(C(=O)OCc2ccccc2)CC1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM1A O60341 2/20 0.50
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.47
PDE4B Q07343 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL21370881 0.87 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL15741986 0.87 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL15749490 0.87 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL961769 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL15749479 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL15741990 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL15742004 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL15749471 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL959849 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL27029228 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19

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-20030064978-A1 Novel compounds ASTRAZENECA AB. (SE) 2003-04-03 US disclosed
WO-2001058867-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-16 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-20030064978-A1 Novel compounds NOS1, NOS3, NOS2 SMN1; SMN2 2436/4885NPC1 2925/4885RAB9A 2192/4885

“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.