SCHEMBL6210328

SCHEMBL6210328

O=C(c1ccc(F)cc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 6/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
NPY2R P49146 1/20 0.47
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46
TP53 P04637 1/20 0.46
FAAH O00519 1/20 0.45

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
SCHEMBL6211682 0.84 EPHX2 (0.52) SMN1; SMN2EPHX2HTR2AHTR2CALDH1A1
SCHEMBL6211374 0.81 CNR1 (0.52) SMN1; SMN2EPHX2HTR2AHTR2CALDH1A1
SCHEMBL6141006 0.79 L3MBTL1 (0.61) ALDH1A1MEN1KMT2AMAPTNPY2R
SCHEMBL13390919 0.78 HTR1F (0.57) ALDH1A1MEN1KMT2AMAPTNPY2R
SCHEMBL24711308 0.78 HTR2A (0.53) SMN1; SMN2EPHX2HTR2AHTR2CALDH1A1
SCHEMBL22491555 0.77 MEN1 (0.59) ALDH1A1MEN1KMT2AMAPTNPY2R
SCHEMBL1838212 0.76 MEN1 (0.61) ALDH1A1MEN1KMT2AMAPTNPY2R
Hydrochloric Acid SCHEMBL2777908 0.76 CPS1 (0.68) SMN1; SMN2HTR2AHTR2CMEN1KMT2A
SCHEMBL8803931 0.76 MEN1 (0.52) HTR2AHTR2CALDH1A1TSHRMEN1
SCHEMBL3920751 0.76 EPHX2 (0.57) EPHX2ALDH1A1KMT2ATP53FAAH

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
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 SMN1; SMN2 3573/4885EPHX2 796/4885HTR2A 823/4885

“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.