SCHEMBL3149322

SCHEMBL3149322

C[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
AVPR1A P37288 1/20 0.47
P2RX7 Q99572 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
ACKR3 P25106 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP2 P08253 2/20 0.42
CA9 Q16790 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL25564790 0.85 GAA (0.43) TAS1R3TAS1R1AVPR1AALDH1A1CA12
SCHEMBL25658951 0.82 TAS1R3 (0.38) TAS1R3TAS1R1AVPR1AP2RX7CA12
SCHEMBL3143316 0.80 EPHX1 (0.55) AVPR1AP2RX7ALDH1A1CYP2C9TSHR
SCHEMBL23130344 0.80 IDO1 (0.58) TAS1R3TAS1R1P2RX7CYP2C9CYP2C19
SCHEMBL25464169 0.75 LMNA (0.50) AVPR1AP2RX7ALDH1A1CYP2C9CYP2C19
SCHEMBL19836585 0.74 CA12 (0.56) TAS1R3TAS1R1P2RX7ALDH1A1CYP3A4
SCHEMBL19652079 0.74 CA12 (0.56) TAS1R3TAS1R1P2RX7ALDH1A1CYP3A4
SCHEMBL31294449 0.74 AVPR1A (0.44) AVPR1AEPHX2
SCHEMBL15116456 0.72 CA12 (0.53) TAS1R3TAS1R1P2RX7ALDH1A1CYP3A4
SCHEMBL6410686 0.72 HDAC4 (0.50) TAS1R3TAS1R1AVPR1AALDH1A1POLB

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 13 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-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-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 TAS1R3 4269/4885TAS1R1 3374/4885AVPR1A 414/4885
US-20050288329-A1 2-Methylprop anamides and their use as pharmaceuticals HSD11B1, HSD11B2, HSD3B1 TAS1R3 4269/4885TAS1R1 3374/4885AVPR1A 414/4885

“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.