SCHEMBL3135707

SCHEMBL3135707

CC(C)(C(=O)NC[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.40
AVPR1A P37288 1/20 0.39
FFAR2 O15552 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ACKR3 P25106 1/20 0.37
CTSK P43235 1/20 0.37
KCNH2 Q12809 2/20 0.37
MCHR1 Q99705 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGES O14684 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
EPHX1 P07099 1/20 0.36
DGAT1 O75907 1/20 0.36
POLB P06746 2/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 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
SCHEMBL3135713 1.00 P2RX7 (0.40) P2RX7AVPR1AFFAR2SMN1; SMN2ACKR3
SCHEMBL13313619 1.00 P2RX7 (0.40) P2RX7AVPR1AFFAR2SMN1; SMN2ACKR3
SCHEMBL3135716 1.00 P2RX7 (0.40) P2RX7AVPR1AFFAR2SMN1; SMN2ACKR3
SCHEMBL13313613 0.77 P2RX7 (0.45) P2RX7AVPR1A
SCHEMBL9497838 0.73 CA1 (0.39) P2RX7SMN1; SMN2KCNH2MCHR1
SCHEMBL9795378 0.73 CA1 (0.39) P2RX7SMN1; SMN2KCNH2MCHR1
SCHEMBL3143316 0.72 EPHX1 (0.55) P2RX7AVPR1ASMN1; SMN2MEN1CYP2C19
SCHEMBL5133734 0.72 HDAC4 (0.49) AVPR1ASMN1; SMN2KCNH2NPC1RAB9A
SCHEMBL3141483 0.71 OPRK1 (0.40) P2RX7SMN1; SMN2CTSKKMT2ANPC1
SCHEMBL3141475 0.71 OPRK1 (0.40) P2RX7SMN1; SMN2CTSKKMT2ANPC1

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 12 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
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 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-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
EP-1768954-A4 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-05-28 EP disclosed
EP-1768954-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-04 EP disclosed
WO-2006002361-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO 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 P2RX7 3820/4885AVPR1A 414/4885FFAR2 1024/4885
US-20050288329-A1 2-Methylprop anamides and their use as pharmaceuticals HSD11B1, HSD11B2, HSD3B1 P2RX7 3820/4885AVPR1A 414/4885FFAR2 1024/4885

“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.