SCHEMBL2834210

SCHEMBL2834210

N#CC[C@@]1(C(=O)O)CC[C@H](c2ccc(OCc3ccccc3)cc2)N1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
GUSB P08236 1/20 0.40
TP53 P04637 1/20 0.40
MMP13 P45452 1/20 0.39
S1PR5 Q9H228 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL2839962 1.00 KCNH2 (0.43) KCNH2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2835604 0.90 GUSB (0.43) KCNH2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2831509 0.89 KCNH2 (0.46) KCNH2ALDH1A1HPGDMAOBGUSB
SCHEMBL2834323 0.88 KCNH2 (0.52) KCNH2MAOB
SCHEMBL4864185 0.84 HTR1A (0.42) ALDH1A1SMN1; SMN2
SCHEMBL2835553 0.82 SCN3A (0.49) KCNH2MAOB
SCHEMBL1104560 0.80 YAP1 (0.44) KCNH2ALDH1A1SMN1; SMN2TP53
SCHEMBL1104530 0.80 YAP1 (0.44) KCNH2ALDH1A1SMN1; SMN2TP53
SCHEMBL2835599 0.80 TP53 (0.48) KCNH2ALDH1A1KDM4EMAOBTP53
SCHEMBL4830210 0.80 TP53 (0.48) KCNH2ALDH1A1KDM4EMAOBTP53

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 5 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-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 US disclosed
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-31 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 (4 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-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 KCNJ2, SCN5A, GRIK5 KCNH2 7/4885ALDH1A1 1449/4885KDM4E 1225/4885
US-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885ALDH1A1 895/4885KDM4E 4099/4885
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS TACR2, TACR1, KCNH3 KCNH2 5/4885ALDH1A1 1391/4885KDM4E 2176/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885ALDH1A1 1652/4885KDM4E 364/4885

“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.