SCHEMBL4123314

SCHEMBL4123314

CCOC(=O)CCc1nnn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36

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
SCHEMBL9641762 0.90 CYP1A2 (0.43) MAPTCYP4F2CYP4A11CA12CA1
SCHEMBL17242958 0.89 CYP4F2 (0.44) MAPTCYP4F2CYP4A11CA12CA1
SCHEMBL4811573 0.83 TSHR (0.41) MAPTMAPK1ALDH1A1LMNAKDM4E
SCHEMBL443306 0.83 CA12 (0.56) CA12CA1CA2CA9MAPK1
SCHEMBL23028581 0.81 DGKA (0.40) ALDH1A1LMNAKDM4EHSD17B10TDP1
SCHEMBL5537649 0.77 ALDH1A1 (0.36) MAPTCA12CA1CA2CA9
SCHEMBL23028585 0.77 NAAA (0.38) MAPTCA12CA1CA2CA9
SCHEMBL2704416 0.74 CHRM1 (0.39) ALDH1A1LMNAKDM4EGAA
SCHEMBL5536023 0.74 L3MBTL1 (0.40) MAPTALDH1A1LMNACYP1A2TDP1
SCHEMBL23028584 0.74 TDP1 (0.34) ALDH1A1TDP1

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-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors UNIV EMORY (US) 2024-07-04 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (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 (2 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-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors GRIN2B, GRIN2A, GRIN2C MAPT 1128/4885CYP4F2 3337/4885CYP4A11 4349/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR MAPT 4428/4885CYP4F2 463/4885CYP4A11 337/4885

“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.