SCHEMBL5200330

SCHEMBL5200330

Cc1ccc2c(c1)C(=O)C(C)(CCO)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 1/20 0.37
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR7 P34969 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RAD52 P43351 1/20 0.33
ATM Q13315 1/20 0.33
ROS1 P08922 1/20 0.33

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
SCHEMBL31012318 0.88 METAP1 (0.42) METAP1CA1CA2CA4CA7
SCHEMBL7187309 0.88 METAP1 (0.42) METAP1CA1CA2CA4CA7
SCHEMBL12086628 0.86 METAP1 (0.41) METAP1CA1CA2CA4CA7
SCHEMBL5198058 0.85 METAP1 (0.41) METAP1CA1CA2CA4CA7
SCHEMBL11537833 0.83 GAA (0.44) METAP1CA1CA2CA4CA7
SCHEMBL5199680 0.82 METAP1 (0.39) METAP1CA1CA2CA4CA7
SCHEMBL28440046 0.82 DGAT1 (0.42) METAP1CA1CA2CA4CA7
SCHEMBL11931725 0.81 METAP1 (0.38) METAP1CA1CA2CA4CA7
SCHEMBL17926642 0.77 ALDH1A1 (0.39) METAP1CA1CA2CA4CA7
SCHEMBL2351057 0.75 METAP1 (0.49) METAP1CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101023055-B Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC 2010-10-06 CN disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
CN-101023055-A Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC (JP) 2007-08-22 CN disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 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-20070197594-A1 Cyclic amine derivative or salt thereof GRIN1, PARK7, GRIN3A METAP1 899/4885CA1 166/4885CA2 2009/4885

“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.