SCHEMBL4145891

SCHEMBL4145891

CNC1CCN(CCOc2cccc(CC(=O)O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.56
KDM4E B2RXH2 3/20 0.53
HTR1A P08908 6/20 0.51
HTR7 P34969 6/20 0.51
SIGMAR1 Q99720 1/20 0.51
KDM1A O60341 3/20 0.51
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13849595 0.90 KDM1A (0.55) LTA4HKDM4EHTR1AHTR7SIGMAR1
SCHEMBL13850499 0.84 SMN1; SMN2 (0.52) LTA4HKDM4EHTR1AHTR7SIGMAR1
SCHEMBL4629303 0.80 KDM4E (0.67) LTA4HKDM4EALDH1A1
SCHEMBL4801766 0.80 KDM4E (0.55) KDM4ESIGMAR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL980503 0.79 KDM4E (0.65) LTA4HKDM4EALDH1A1
SCHEMBL4802393 0.78 CCR5 (0.50) LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL5348782 0.78 ROCK1 (0.56) KDM4ESIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL30696783 0.76 EPHX2 (0.56) LTA4HKDM4ESIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL10222197 0.76 PPARG (0.58) KDM4E
SCHEMBL14144084 0.76 PLA2G4B (0.57) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP 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-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 LTA4H 1647/4885KDM4E 2809/4885HTR1A 313/4885

“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.