SCHEMBL2727147

SCHEMBL2727147

CN1CCN(c2cc(N)cc(C(=O)O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.51
CHEK1 O14757 3/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
PTK2B Q14289 2/20 0.47
GFER P55789 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2724983 0.83 ALDH1A1 (0.56) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL17113222 0.83 ADRA2C (0.47) ADRA2CKDM4EALDH1A1GAAMAPT
SCHEMBL545939 0.82 TPMT (0.52) CHEK1KDM4EALDH1A1GAAKMT2A
SCHEMBL2724092 0.81 KMO (0.60) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL22712693 0.80 ADRA2C (0.68) ADRA2CKDM4EALDH1A1GAAMAPT
SCHEMBL2013498 0.80 ADRA2C (0.68) ADRA2CKDM4EALDH1A1GAAMAPT
SCHEMBL15131534 0.78 CHEK1 (0.46) CHEK1KDM4EALDH1A1GAAKMT2A
SCHEMBL15131528 0.78 CHEK1 (0.46) CHEK1KDM4EALDH1A1GAAKMT2A
SCHEMBL5220818 0.78 ALDH1A1 (0.56) CHEK1ALDH1A1GAAKMT2ANPC1
SCHEMBL502328 0.77 DDR1 (0.49) CHEK1ALDH1A1NPC1RAB9ALMNA

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
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 WO 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 (1 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB ADRA2C 990/4885CHEK1 2908/4885KDM4E 1541/4885

“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.