SCHEMBL3149646

SCHEMBL3149646

CC(C)(Sc1ccc(OCC#N)cc1)C(=O)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
LMNA P02545 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
EPHX2 P34913 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
USP1 O94782 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL4688458 0.96 MMP9 (0.40) MMP9MMP13ADAM17MAPTNPC1
SCHEMBL3139824 0.86 RAB9A (0.57) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL3139387 0.84 KMT2A (0.47) KMT2AMEN1PPARGPPARDPPARA
SCHEMBL3153073 0.83 MEN1 (0.50) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL3144225 0.83 SSTR4 (0.46) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4689951 0.82 RAB9A (0.53) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL13313677 0.82 PPARG (0.43) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL3135154 0.82 NPC1 (0.61) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL3153051 0.81 SMN1; SMN2 (0.52) RAB9AKMT2AMEN1PPARGPPARD
SCHEMBL4742304 0.81 POLB (0.48) NPC1RAB9AKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137401-A1 2-METHYLPROP ANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2010-06-03 US claimed
EP-1768954-A4 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-05-28 EP claimed
EP-1768954-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-04 EP claimed
WO-2006002361-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO claimed
US-20050288329-A1 2-Methylprop anamides and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
US-20100137401-A1 2-METHYLPROP ANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2010-06-03 US disclosed
US-20100137401-A1 2-METHYLPROP ANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2010-06-03 US disclosed
US-7687665-B2 2-(4-Chlorophenyl)-N-[(1R,2R)-2-(benzyloxy)cyclohexyl]-2-methylpropanamide; modulators of 11- beta hydroxyl steroid dehydrogenase type 1 and/or mineralocorticoid receptor INCYTE CORPORATION (US) 2010-03-30 US disclosed
US-7687665-B2 2-(4-Chlorophenyl)-N-[(1R,2R)-2-(benzyloxy)cyclohexyl]-2-methylpropanamide; modulators of 11- beta hydroxyl steroid dehydrogenase type 1 and/or mineralocorticoid receptor INCYTE CORPORATION (US) 2010-03-30 US disclosed
US-20050288329-A1 2-Methylprop anamides and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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 (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-20100137401-A1 2-METHYLPROP ANAMIDES AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD3B1 MMP9 441/4885MMP13 1225/4885ADAM17 1882/4885
US-20050288329-A1 2-Methylprop anamides and their use as pharmaceuticals HSD11B1, HSD11B2, HSD3B1 MMP9 441/4885MMP13 1225/4885ADAM17 1882/4885

“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.