SCHEMBL2240702

SCHEMBL2240702

CCN[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.39
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2729026 1.00 CA1 (0.42) CA1CA2CA12CA9ALDH1A1
SCHEMBL18115895 0.89 EPHX2 (0.39) ALDH1A1KDM4EEPHX2MEN1KMT2A
SCHEMBL3833559 0.89 EPHX2 (0.39) ALDH1A1KDM4EEPHX2MEN1KMT2A
SCHEMBL3827038 0.89 EPHX2 (0.39) ALDH1A1KDM4EEPHX2MEN1KMT2A
SCHEMBL2730657 0.88 LMNA (0.46) CA1CA2CA12CA9ALDH1A1
SCHEMBL18236650 0.86 CA1 (0.45) CA1CA2CA12CA9ALDH1A1
SCHEMBL22039282 0.85 EPHX2 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL2897422 0.83 EPHX1 (0.41) CA1CA2CA12CA9KDM4E
SCHEMBL2899611 0.83 EPHX1 (0.41) CA1CA2CA12CA9KDM4E
SCHEMBL24492436 0.82 JAK3 (0.51)

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-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 CA1 1036/4885CA2 93/4885CA12 1432/4885

“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.