SCHEMBL4301302

SCHEMBL4301302

CC(C)(C)OC(=O)N1CCC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
SIRT2 Q8IXJ6 10/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38

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
SCHEMBL1448717 0.90 LMNA (0.41) TACR1OPRD1OPRK1SIRT2
SCHEMBL1448716 0.84 TACR1 (0.41) TACR1OPRD1OPRK1SIRT2CKS1B
SCHEMBL4296922 0.81 LIMK2 (0.46) SIRT2
SCHEMBL7181950 0.80 ACKR3 (0.45) GPR119CKS1BSKP1SKP2
SCHEMBL947677 0.79 KDM4E (0.49) GPR119
SCHEMBL14433203 0.78 GPR119 (0.46) GPR119
SCHEMBL1003119 0.77 OPRD1 (0.52) TACR1OPRD1OPRK1ALOX15TSHR
SCHEMBL8442335 0.74 OPRD1 (0.43) TACR1OPRD1OPRK1GPR119
SCHEMBL7719454 0.74 USP30 (0.54) GPR119
SCHEMBL7719456 0.74 USP30 (0.54) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TACR1 4857/4885OPRD1 3786/4885OPRK1 2277/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 TACR1 4857/4885OPRD1 3786/4885OPRK1 2277/4885

“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.