SCHEMBL7454510

SCHEMBL7454510

CC1(C)OCC(Cc2ccccc2)N1C(=O)Cc1ccn(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.34
ABHD6 Q9BV23 3/20 0.33
DAGLA Q9Y4D2 3/20 0.33
ABCB1 P08183 2/20 0.33
FAAH O00519 1/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC1 Q13547 2/20 0.32
MC4R P32245 2/20 0.32
MC3R P41968 2/20 0.32
MC1R Q01726 2/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL7404869 1.00 TSHR (0.36) TSHRSMN1; SMN2MAPTABHD6DAGLA
SCHEMBL7447779 0.83 ABCB1 (0.34) ABHD6DAGLAABCB1ALDH1A1HSD17B10
SCHEMBL7447785 0.83 ABCB1 (0.34) ABHD6DAGLAABCB1ALDH1A1HSD17B10
SCHEMBL7451704 0.82 ABCB1 (0.33) ABHD6DAGLAABCB1ALDH1A1HSD17B10
SCHEMBL27560601 0.82 ABHD6 (0.32) ABHD6DAGLAABCB1HDAC1TMEM97
SCHEMBL7451706 0.82 ABCB1 (0.33) ABHD6DAGLAABCB1ALDH1A1HSD17B10
SCHEMBL27497033 0.80 DRD4 (0.33)
SCHEMBL7458431 0.79 HSD17B10 (0.34) ABHD6DAGLAABCB1HSD17B10
SCHEMBL7449060 0.79 HSD17B10 (0.34) ABHD6DAGLAABCB1HSD17B10
SCHEMBL7407269 0.78 ALDH1A1 (0.38) TSHRSMN1; SMN2MAPTABCB1FAAH

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 TSHR 3670/4885SMN1; SMN2 3155/4885MAPT 4640/4885

“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.