SCHEMBL14430801

SCHEMBL14430801

O=C(NCCCN1CCCCC1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.61
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LTA4H P09960 1/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
CACNA1B Q00975 2/20 0.53
CACNA1H O95180 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GLA P06280 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL5466382 0.93 EPHX2 (0.70) EPHX2MAPTALDH1A1LMNAGAA
SCHEMBL14430782 0.91 LTA4H (0.59) EPHX2MAPTALDH1A1LMNAGAA
SCHEMBL14430802 0.91 RAF1 (0.61) EPHX2LMNALTA4HHRH3L3MBTL1
SCHEMBL18507067 0.90 L3MBTL3 (0.62) EPHX2MAPTALDH1A1LMNAGAA
SCHEMBL5483156 0.88 SCN9A (0.59) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL14430677 0.87 CHRM4 (0.62) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL5481939 0.86 TSHR (0.66) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL5474324 0.86 POLB (0.75) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL14430792 0.85 POLB (0.56) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL5477276 0.84 MCHR1 (0.54) MAPTALDH1A1LMNAGAAMAPK1

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 EPHX2 3018/4885MAPT 983/4885ALDH1A1 172/4885

“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.