SCHEMBL2992813

SCHEMBL2992813

CCOC(=O)c1cc(C)n(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPC1 O15118 1/20 0.42
HSD17B2 P37059 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
SCHEMBL12492750 0.84 CA1 (0.49) CA1CA2CA12CA7CA9
SCHEMBL5863502 0.83 CYP1A2 (0.50) CA1CA2CA12CA7CA9
SCHEMBL23361401 0.81 CA1 (0.46) CA1CA2CA12CA7CA9
Lithium SCHEMBL31223142 0.80 CYP2C19 (0.46) CA1CA2CA12CA7CA9
SCHEMBL26015017 0.80 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL7677910 0.80 CA12 (0.52) CA1CA2CA12CA7CA9
Lithium Ion SCHEMBL26134628 0.79 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL16622900 0.77 KDM4E (0.45) CA1CA2CA12CA7CA9
SCHEMBL1664013 0.74 CA12 (0.75) CA1CA2CA12CA7CA9
SCHEMBL13610397 0.73 KMT2A (0.46) CA1CA2CA12CA7CA9

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-20100184771-A1 Bicyclic Heterocyclic Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-22 US disclosed
EP-1961754-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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-20100184771-A1 Bicyclic Heterocyclic Compound NR3C2, NR3C1, CRHR1 CA1 603/4885CA2 917/4885CA12 1447/4885

“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.