SCHEMBL2239618

SCHEMBL2239618

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
EPHX1 P07099 1/20 0.43
EPHX2 P34913 2/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4117497 0.90 GAA (0.43) GAACYP2C9CYP2C19EPHX1EPHX2
SCHEMBL19240736 0.86 GAA (0.49) GAACYP2C9CYP2C19EPHX1EPHX2
SCHEMBL27917056 0.86 GAA (0.42) GAACYP2C9CYP2C19EPHX2CA1
SCHEMBL2249174 0.85 CA1 (0.44) GAACYP2C9CYP2C19CA1CA2
SCHEMBL2241825 0.85 CA1 (0.44) GAACYP2C9CYP2C19CA1CA2
SCHEMBL2729454 0.85 CA1 (0.44) GAACYP2C9CYP2C19CA1CA2
Hydrochloric Acid SCHEMBL20986903 0.85 GAA (0.40) GAACYP2C9CYP2C19CA1CA2
SCHEMBL22620277 0.80 ALDH1A1 (0.49) GAACYP2C9CYP2C19EPHX1CA1
SCHEMBL2244600 0.80 HTT (0.46) GAACYP2C9CYP2C19EPHX1EPHX2
SCHEMBL2897422 0.79 EPHX1 (0.41) GAACYP2C9CYP2C19EPHX1CA1

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 GAA 3041/4885CYP2C9 141/4885CYP2C19 107/4885

“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.