SCHEMBL2837158

SCHEMBL2837158

C[C@@]1(C(N)=O)CC[C@H](c2ccc(Oc3ccccc3C#N)cc2)N1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
EZH2 Q15910 11/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
MAPK14 Q16539 2/20 0.40
BTK Q06187 1/20 0.38
DHODH Q02127 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL483566 0.88 KCNH2 (0.49) KCNH2EZH2POLBGAALPAR1
SCHEMBL2833719 0.84 KCNH2 (0.55) KCNH2
SCHEMBL483568 0.79 KCNH2 (0.48) KCNH2EZH2POLBGAALPAR1
SCHEMBL2831512 0.79 KCNH2 (0.47) KCNH2EZH2POLBGAALPAR1
SCHEMBL1107916 0.79 EZH2 (0.43) KCNH2EZH2BTK
SCHEMBL483073 0.77 KCNH2 (0.61) KCNH2EZH2POLBGAALPAR1
SCHEMBL2832438 0.76 KCNH2 (0.51) KCNH2
SCHEMBL2835462 0.76 KCNH2 (0.57) KCNH2EZH2POLBGAALPAR1
SCHEMBL2831517 0.75 ESR2 (0.39) MAPT
SCHEMBL2832873 0.72 KCNH2 (0.59) KCNH2LPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885EZH2 3740/4885POLB 3805/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885EZH2 3892/4885POLB 4722/4885

“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.