SCHEMBL4698042

SCHEMBL4698042

CC(C)(C)OC(=O)C1C=C(c2ccccc2[N+](=O)[O-])CCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
PPIA P62937 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4701988 0.83 DAPK3 (0.34) HTTNPC1RAB9A
SCHEMBL4678425 0.82 ALDH1A1 (0.43) NPSR1ALDH1A1HTTTDP1PPIA
SCHEMBL8020234 0.74 CYP11B2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8008600 0.70 NPC1 (0.36) NPSR1ALDH1A1HTTMAPTNPC1
SCHEMBL83151 0.67 PDK4 (0.63) ALDH1A1LMNAMAPT
SCHEMBL31155298 0.67 PDK4 (0.63) ALDH1A1LMNAMAPT
SCHEMBL4775253 0.67 GPR119 (0.30)
SCHEMBL4702610 0.67 ALDH1A1 (0.40) NPSR1ALDH1A1HTTTDP1LMNA
SCHEMBL3435978 0.67 PDK4 (0.51) ALDH1A1LMNAMAPTMAPK1
SCHEMBL7849903 0.67 MAPK1 (0.33) MAPK1

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-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 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-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R NPSR1 20/4885ALDH1A1 423/4885HTT 586/4885

“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.