SCHEMBL3447652

SCHEMBL3447652

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn(CCN2CCOCC2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
CNR1 P21554 7/20 0.44
CNR2 P34972 10/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL3448009 0.88 SMN1; SMN2 (0.41) SMN1; SMN2CNR1CNR2CYP1A2CYP2D6
SCHEMBL13348250 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CNR1CNR2CYP1A2CYP2D6
SCHEMBL3448797 0.84 CNR1 (0.37) SMN1; SMN2CNR1CNR2CYP1A2CYP2D6
SCHEMBL3449876 0.81 MAPT (0.32) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3378730 0.79 SMN1; SMN2 (0.67) SMN1; SMN2CNR1CNR2CYP1A2CYP2D6
SCHEMBL3448683 0.79 GAA (0.41) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3374281 0.78 BRD4 (0.43) MEN1KMT2AALDH1A1
SCHEMBL3447654 0.76 ALDH1A1 (0.44) SMN1; SMN2CYP1A2CYP2D6MEN1KMT2A
SCHEMBL13348316 0.76 SMN1; SMN2 (0.38) SMN1; SMN2CNR1CNR2CYP1A2CYP2D6
SCHEMBL3449125 0.74 BAZ2B (0.39) CNR1CNR2ALDH1A1

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD SMN1; SMN2 3328/4885CNR1 653/4885CNR2 517/4885

“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.