SCHEMBL5485425

SCHEMBL5485425

O=C(NCCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
MAPT P10636 4/20 0.59
RECQL P46063 1/20 0.59
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
PTPN1 P18031 1/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55

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
SCHEMBL31030923 0.89 KMT2A (0.71) POLBMAPTPTPN1ALDH1A1GAA
SCHEMBL4241229 0.87 MAPT (0.56) POLBMAPTRECQLALDH1A1GAA
SCHEMBL18502096 0.86 L3MBTL3 (0.63) POLBMAPTRECQLCYP1A2CYP2D6
SCHEMBL7386884 0.84 POLB (0.58) POLBMAPTPTPN1ALDH1A1GAA
SCHEMBL3872252 0.84 POLB (0.91) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL5479660 0.83 POLB (0.66) POLBMAPTRECQLALDH1A1GAA
SCHEMBL13211930 0.81 NPSR1 (0.79) POLBMAPTRECQLCYP1A2CYP2D6
SCHEMBL5474202 0.81 ALDH1A1 (0.71) MAPTRECQLCYP1A2CYP2D6CYP2C9
SCHEMBL23842313 0.80 HDAC1 (0.78) MAPTALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL8612164 0.80 HDAC1 (0.78) MAPTALDH1A1GAAKMT2ASMN1; SMN2

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-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A POLB 1519/4885MAPT 983/4885RECQL 1072/4885

“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.