SCHEMBL6431313

SCHEMBL6431313

NC(=O)c1nnc(C2CC2)o1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
EPHX2 P34913 4/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ADCY1 Q08828 6/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
CYP2C19 P33261 1/20 0.33
DPP4 P27487 1/20 0.33
ADCY8 P40145 1/20 0.33
PKM P14618 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
SCHEMBL21525527 0.82 ADCY1 (0.39) CA1CA2EPHX2MEN1MAPT
SCHEMBL29546533 0.81 PARP1 (0.39) MAPTKMT2A
SCHEMBL24724145 0.80 KMT2A (0.46) CA1CA2EPHX2MEN1MAPT
Lithium Ion SCHEMBL31084591 0.78 EPHX2 (0.40) CA1CA2EPHX2MEN1MAPT
SCHEMBL8840127 0.74 ADCY1 (0.47) CA1CA2EPHX2MAPTKMT2A
Trifluoroacetic Acid SCHEMBL29546259 0.74 PARP1 (0.34)
SCHEMBL20305423 0.72 CA1 (0.43) CA1CA2MEN1MAPTKMT2A
SCHEMBL442998 0.72 PKM (0.41) EPHX2MEN1KMT2AADCY1PKM
SCHEMBL29545615 0.70
SCHEMBL439761 0.69 NPC1 (0.42) CA1CA2EPHX2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 US claimed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-1171423-B1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-01-12 EP disclosed
US-6803381-B1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS, ACTING AS ANTAGONISTS OR AGONISTS HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-6596743-B2 Control or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 US disclosed
US-20020091150-A1 Carbamic acid derivatives BLEICHER KONRAD (DE) 2002-07-11 US 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 (3 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-20020091150-A1 Carbamic acid derivatives CHRM1, CHRNA2, CHRM2 CA1 174/4885CA2 311/4885EPHX2 2047/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 CA1 4651/4885CA2 3870/4885EPHX2 4325/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 CA1 3768/4885CA2 1534/4885EPHX2 2016/4885

“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.