SCHEMBL1255783

SCHEMBL1255783

CC1CCC(C(=O)NCCc2ccccn2)(C(C)C)C([C@@]2(C(=O)NCCc3ccccn3)C[C@H](C)CC[C@H]2C(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.38
ATM Q13315 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TSHR P16473 2/20 0.37
FPR3 P25089 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NR3C2 P08235 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL29112390 0.78 HSD11B1 (0.54) HSD11B1ALDH1A1SMN1; SMN2HTTATM
SCHEMBL24540861 0.78 HSD11B1 (0.54) HSD11B1ALDH1A1SMN1; SMN2HTTATM
SCHEMBL29112392 0.78 HSD11B1 (0.54) HSD11B1ALDH1A1SMN1; SMN2HTTATM
SCHEMBL29141636 0.77 HSD11B1 (0.52) HSD11B1ALDH1A1SMN1; SMN2HTTATM
SCHEMBL3614438 0.75 HSD11B1 (0.56) HSD11B1ALDH1A1SMN1; SMN2HTTATM
SCHEMBL15649538 0.73 HSD11B1 (0.54) HSD11B1ALDH1A1SMN1; SMN2HTTATM
SCHEMBL3457775 0.70 HSD11B1 (0.42) HSD11B1ALDH1A1SMN1; SMN2HTTATM
Monoethanolamine SCHEMBL15918951 0.70 HSD11B1 (0.50) HSD11B1ALDH1A1SMN1; SMN2HTTATM
SCHEMBL21003258 0.69 ALOX5AP (0.48) HSD11B1ALDH1A1SMN1; SMN2HTTATM
SCHEMBL1159800 0.69 TRPM8 (0.52) HSD11B1ALDH1A1SMN1; SMN2HTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162018-B1 SALT ENHANCEMENT GIVAUDAN SA (CH) 2012-10-17 EP claimed
US-7880011-B2 reacting p-menthanecarboxamide in toluene with 2-vinyl pyridine, 18-crown-6 chelating agent , potassium tert-butoxide (20% in tetrahydrofuran), heating to produce N-(2-pyridin-2-ylethyl)p-menthanecarboxamide[(1R,2S,5R)-2-isopropyl-5-methyl-N-(2-(pyridin-2-yl)ethyl)cyclohexanecarboxamide Givandan, S.A. (CH) 2011-02-01 US disclosed
US-20090030042-A1 Amide Addition Reaction GIVAUDAN, SA. (CH) 2009-01-29 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 (1 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-20090030042-A1 Amide Addition Reaction HRH2, OGDH, MDH2 HSD11B1 2015/4885ALDH1A1 2457/4885SMN1; SMN2 4003/4885

“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.