SCHEMBL3140845

SCHEMBL3140845

C[C@H](NC(=O)C(C)(C)SCc1ccccc1Cl)[C@H](O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.42
ASAH1 Q13510 1/20 0.42
ACER2 Q5QJU3 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RIPK1 Q13546 1/20 0.39
CHRM2 P08172 1/20 0.38
ADRA1A P35348 1/20 0.38
RGS12 O14924 1/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL3140851 1.00 CNR1 (0.47) CNR1SMN1; SMN2ALDH1A1ASAH1ACER2
SCHEMBL3145223 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL4689295 0.78 CASR (0.46) CNR1SMN1; SMN2ALDH1A1SLC6A4CYP2D6
SCHEMBL3136480 0.76 ACACB (0.44) CNR1SMN1; SMN2MEN1KMT2ACNR2
SCHEMBL3143581 0.76 MAPK1 (0.47) CNR1SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL3144042 0.75 TAS1R3 (0.52) SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL3145083 0.75 SLC6A4 (0.50) SMN1; SMN2ALDH1A1ASAH1ACER2SLC6A4
SCHEMBL3145076 0.75 SLC6A4 (0.50) SMN1; SMN2ALDH1A1ASAH1ACER2SLC6A4
SCHEMBL3149320 0.73 SMN1; SMN2 (0.40) CNR1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3141470 0.73 CYP3A4 (0.47) SMN1; SMN2ALDH1A1CYP2D6CYP2C19CYP3A4

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
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
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 CNR1 997/4885SMN1; SMN2 2637/4885ALDH1A1 82/4885
US-20050288329-A1 2-Methylprop anamides and their use as pharmaceuticals HSD11B1, HSD11B2, HSD3B1 CNR1 997/4885SMN1; SMN2 2637/4885ALDH1A1 82/4885

“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.