SCHEMBL10243169

SCHEMBL10243169

CC1OC(C2(NC(=O)OCc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
STS P08842 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
YAP1 P46937 1/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.42
TACR1 P25103 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
P2RX7 Q99572 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL6507786 0.83 STS (0.48) BACE1STSMEN1KMT2AYAP1
SCHEMBL31566731 0.82 STS (0.47) BACE1STSMEN1KMT2AYAP1
SCHEMBL551650 0.81 MEN1 (0.48) BACE1STSMEN1KMT2AYAP1
SCHEMBL2206561 0.81 MEN1 (0.47) BACE1STSMEN1KMT2AYAP1
SCHEMBL2798332 0.80 CTSL (0.49) BACE1STSMEN1KMT2AYAP1
SCHEMBL607180 0.80 MEN1 (0.46) BACE1STSMEN1KMT2AYAP1
SCHEMBL21009793 0.80 MEN1 (0.46) BACE1STSMEN1KMT2AYAP1
SCHEMBL17609000 0.79 OPRD1 (0.47) BACE1STSMEN1KMT2AYAP1
SCHEMBL2208865 0.79 OPRD1 (0.47) BACE1STSMEN1KMT2AYAP1
SCHEMBL2797417 0.79 MEN1 (0.46) BACE1STSMEN1KMT2AYAP1

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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES NR1D2, STARD10, NR1D1 BACE1 1684/4885STS 687/4885MEN1 4323/4885

“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.