SCHEMBL7450616

SCHEMBL7450616

CC1(C)OC[C@H](Cc2ccccc2)N1C(=O)Cn1cc(-c2ccc(-c3ccccc3)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
FFAR4 Q5NUL3 1/20 0.39
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
NAMPT P43490 3/20 0.38
FLT3 P36888 1/20 0.38
MYLK Q15746 1/20 0.38
AURKB Q96GD4 1/20 0.38
CILK1 Q9UPZ9 1/20 0.38
CDK11A Q9UQ88 1/20 0.38
CREBBP Q92793 3/20 0.36
DHODH Q02127 1/20 0.36
ENPP2 Q13822 1/20 0.36
ABHD6 Q9BV23 3/20 0.35
DAGLA Q9Y4D2 3/20 0.35
BRD4 O60885 1/20 0.35
DAGLB Q8NCG7 1/20 0.35

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
SCHEMBL7459888 0.87 ABCB1 (0.34) ABHD6DAGLA
SCHEMBL7400455 0.76 ABCB1 (0.41)
SCHEMBL7400452 0.76 ABCB1 (0.41)
SCHEMBL7404869 0.75 TSHR (0.36) ABHD6DAGLA
SCHEMBL7454510 0.75 TSHR (0.36) ABHD6DAGLA
SCHEMBL7407270 0.75 ALDH1A1 (0.38)
SCHEMBL7407269 0.75 ALDH1A1 (0.38)
SCHEMBL7408391 0.71 ALDH1A1 (0.43) L3MBTL1
SCHEMBL7452364 0.71 ALDH1A1 (0.43) L3MBTL1
SCHEMBL7447779 0.71 ABCB1 (0.34) ABHD6DAGLA

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
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 L3MBTL1 4598/4885FFAR4 4370/4885CCNC 1271/4885

“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.