SCHEMBL4220545

SCHEMBL4220545

NC(=O)C1(Nc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
CYP2D6 P10635 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 3/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
NPFFR1 Q9GZQ6 1/20 0.51
NPFFR2 Q9Y5X5 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL4218720 0.92 ALDH1A1 (0.55) ALDH1A1CYP2D6SIGMAR1SMN1; SMN2KDM4E
SCHEMBL4224621 0.88 SIGMAR1 (0.53) ALDH1A1SIGMAR1SMN1; SMN2KDM4EMAPK1
SCHEMBL2996293 0.84 CYP2D6 (0.68) ALDH1A1CYP2D6KDM4EMAPTOPRM1
SCHEMBL20187124 0.83 ALDH1A1 (0.58) ALDH1A1CYP2D6SIGMAR1KDM4EPOLB
SCHEMBL7707050 0.83 ALDH1A1 (0.61) ALDH1A1CYP2D6SMN1; SMN2KDM4ELMNA
SCHEMBL20187134 0.83 CYP2D6 (0.58) ALDH1A1CYP2D6SIGMAR1MAPK1POLB
SCHEMBL4213929 0.80 SMN1; SMN2 (0.54) ALDH1A1SIGMAR1SMN1; SMN2KDM4EMAPK1
SCHEMBL11564966 0.80 NPFFR1 (0.64) ALDH1A1CYP2D6SIGMAR1SMN1; SMN2KDM4E
SCHEMBL11566812 0.80 UBE2M (0.57) ALDH1A1CYP2D6SIGMAR1SMN1; SMN2KDM4E
SCHEMBL16876691 0.78 CYP2D6 (0.58) ALDH1A1CYP2D6SIGMAR1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030041-A1 N-substituted N-(4-piperidinyl) Amide Derivative NIPPON CHEMIPHAR CO., LTD. (JP) 2009-01-29 US disclosed
EP-1795526-A1 N-SUBSTITUTED N-(4-PIPERIDINYL)AMIDE DERIVATIVE Nippon Chemiphar Co., Ltd. (JP) 2007-06-13 EP 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-20090030041-A1 N-substituted N-(4-piperidinyl) Amide Derivative OPRM1, OPRD1, H1-0 ALDH1A1 293/4885CYP2D6 1596/4885SIGMAR1 62/4885

“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.