SCHEMBL4297687

SCHEMBL4297687

COC(=O)C1(CNC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
PKM P14618 2/20 0.45
YAP1 P46937 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BACE1 P56817 1/20 0.44
TACR1 P25103 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
STS P08842 1/20 0.44
P2RX7 Q99572 2/20 0.44
KDM4E B2RXH2 1/20 0.43
SYK P43405 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
SCHEMBL6191239 0.92 MEN1 (0.48) MEN1KMT2ANPC1RAB9AGPR119
SCHEMBL1446859 0.92 MEN1 (0.48) MEN1KMT2AHTTPKMBACE1
SCHEMBL15054425 0.88 MEN1 (0.45) MEN1KMT2AHTTPKMBACE1
SCHEMBL5742790 0.87 MEN1 (0.44) MEN1KMT2AHTTYAP1SMN1; SMN2
SCHEMBL1446545 0.87 SMN1; SMN2 (0.45) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL7838076 0.87 PKM (0.46) MEN1KMT2AHTTPKMYAP1
SCHEMBL19995859 0.86 MEN1 (0.48) MEN1KMT2AHTTPKMYAP1
SCHEMBL6636967 0.86 MEN1 (0.49) MEN1KMT2AHTTPKMBACE1
SCHEMBL19995751 0.86 MEN1 (0.49) MEN1KMT2AHTTPKMBACE1
SCHEMBL19995685 0.85 KDM1A (0.54) MEN1KMT2AHTTPKMBACE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297153-B1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2015-05-27 EP disclosed
EP-2674433-A1 LIMK2 inhibitors, compositions comprising them and methods of their use Lexicon Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
US-8450332-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-12-27 US disclosed
US-8193202-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-10-22 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 (2 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-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 MEN1 3250/4885KMT2A 2376/4885HTT 3257/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 MEN1 3250/4885KMT2A 2376/4885HTT 3257/4885

“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.