SCHEMBL4299022

SCHEMBL4299022

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.48
TACR1 P25103 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
STS P08842 1/20 0.48
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
ACHE P22303 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL31377097 0.89 STS (0.47) YAP1TACR1OPRD1OPRK1STS
SCHEMBL1446888 0.89 TACR1 (0.51) YAP1TACR1OPRD1OPRK1STS
SCHEMBL1447732 0.86 CYP2D6 (0.44) OPRD1OPRK1TSHRMEN1KMT2A
SCHEMBL16433338 0.86 OPRD1 (0.46) YAP1TACR1OPRD1OPRK1STS
SCHEMBL17848356 0.84 TACR1 (0.51) YAP1TACR1OPRD1OPRK1STS
SCHEMBL16986959 0.84 TACR1 (0.57) YAP1TACR1OPRD1OPRK1STS
SCHEMBL25360075 0.84 TACR1 (0.47) YAP1TACR1OPRD1OPRK1STS
SCHEMBL17714547 0.83 OPRD1 (0.43) YAP1TACR1OPRD1OPRK1STS
SCHEMBL1002715 0.82 PKM (0.55) TACR1OPRD1OPRK1STSTSHR
SCHEMBL4033998 0.82 ALDH1A1 (0.44) TACR1TSHRMEN1KMT2A

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 YAP1 463/4885TACR1 4857/4885OPRD1 3786/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 YAP1 463/4885TACR1 4857/4885OPRD1 3786/4885

“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.