SCHEMBL3145083

SCHEMBL3145083

C[C@H](NC(=O)C(C)(C)Sc1ccccc1)[C@@H](O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
ADRA2C P18825 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA1A P35348 1/20 0.46
RGS12 O14924 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
GNAI1 P63096 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL3145076 1.00 SLC6A4 (0.50) SLC6A4ADRA2CCHRM2ADRA1ARGS12
SCHEMBL9991697 0.77 ADRA2C (0.53) SLC6A4ADRA2CCHRM2ADRA1ARGS12
SCHEMBL12039368 0.77 ADRA2C (0.53) SLC6A4ADRA2CCHRM2ADRA1ARGS12
SCHEMBL3140845 0.75 CNR1 (0.47) SLC6A4ADRA2CCHRM2ADRA1ARGS12
SCHEMBL3140851 0.75 CNR1 (0.47) SLC6A4ADRA2CCHRM2ADRA1ARGS12
SCHEMBL16164987 0.74 ADRA2C (0.62) SLC6A4ADRA2CCHRM2ADRA1ARGS12
SCHEMBL14393865 0.73 ADRA2C (0.60) SLC6A4ADRA2CCHRM2ADRA1ARGS12
SCHEMBL14350766 0.73 ADRA2C (0.60) SLC6A4ADRA2CCHRM2ADRA1ARGS12
SCHEMBL4407404 0.73 ADRA2C (0.60) SLC6A4ADRA2CCHRM2ADRA1ARGS12
SCHEMBL14350791 0.73 ADRA2C (0.60) SLC6A4ADRA2CCHRM2ADRA1ARGS12

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 6 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-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 SLC6A4 2467/4885ADRA2C 354/4885CHRM2 1486/4885
US-20050288329-A1 2-Methylprop anamides and their use as pharmaceuticals HSD11B1, HSD11B2, HSD3B1 SLC6A4 2467/4885ADRA2C 354/4885CHRM2 1486/4885

“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.