SCHEMBL6864241

SCHEMBL6864241

O=C(NC(=O)C(c1ccccc1)c1ccccc1)OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CTSD P07339 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
BACE1 P56817 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL1814609 0.80 MMP8 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6864218 0.78 SMN1; SMN2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3805995 0.77 ALPI (0.47)
SCHEMBL6866253 0.76 CYP3A4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6864168 0.75 SMN1; SMN2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6863281 0.75 PTGIR (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6864789 0.74 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6862901 0.73 ALDH1A1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6858522 0.72 CNR1 (0.57) CNR1CNR2SMN1; SMN2
SCHEMBL6435500 0.72 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO 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-20020091150-A1 Carbamic acid derivatives CHRM1, CHRNA2, CHRM2 TACR1 304/4885HDAC3 533/4885HDAC4 852/4885

“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.