SCHEMBL1446944

SCHEMBL1446944

CC1(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.48
F10 P00742 2/20 0.45
OTUD7B Q6GQQ9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGFR P00533 1/20 0.44
CDK8 P49336 1/20 0.44
USP2 O75604 2/20 0.44
CYP2D6 P10635 2/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
FAAH O00519 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GCK P35557 1/20 0.42
KHK P50053 1/20 0.42

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
SCHEMBL1446881 0.83 S1PR2 (0.56) S1PR2OTUD7BSMN1; SMN2USP2ALDH1A1
SCHEMBL1446649 0.79 LIMK2 (0.57) LMNAKHK
SCHEMBL4290419 0.79 S1PR2 (0.52) S1PR2OTUD7BSMN1; SMN2USP2CYP2D6
SCHEMBL346082 0.77 MMP3 (0.40) F10FAAHMMP3MMP10
SCHEMBL14964355 0.77 S1PR2 (0.50) S1PR2OTUD7BSMN1; SMN2USP2CYP2D6
SCHEMBL14384856 0.76 MTNR1A (0.64) SMN1; SMN2CDK8ALDH1A1LMNAMAPT
SCHEMBL20224882 0.75 CYP1A2 (0.52) SMN1; SMN2CYP2D6ALDH1A1CYP2C19LMNA
SCHEMBL4290392 0.75 LIMK2 (0.62)
SCHEMBL4302014 0.75 LIMK2 (0.59)
SCHEMBL1446943 0.74 LIMK2 (0.53) SMN1; SMN2USP2CYP2D6ALOX15LMNA

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 8 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
EP-2297153-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009131940-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-10-29 WO 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 S1PR2 2804/4885F10 4228/4885OTUD7B 3051/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 S1PR2 2804/4885F10 4228/4885OTUD7B 3051/4885

“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.