SCHEMBL6211682

SCHEMBL6211682

Cc1c(C)c(C)c(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
PKM P14618 1/20 0.44
PKLR P30613 1/20 0.44

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
SCHEMBL6210328 0.84 SMN1; SMN2 (0.51) EPHX2SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL24711308 0.75 HTR2A (0.53) EPHX2SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL18711646 0.73 ALDH1A1 (0.76) ALDH1A1MAPTTSHRPKMPKLR
SCHEMBL3920751 0.73 EPHX2 (0.57) EPHX2ALDH1A1TP53
SCHEMBL25941353 0.72 ALDH1A1 (0.65) ALDH1A1MAPTTSHRPKMPKLR
SCHEMBL3920757 0.72 EPHX2 (0.68) EPHX2SMN1; SMN2TP53
SCHEMBL22032751 0.72 CYP2D6 (0.61) SMN1; SMN2ALDH1A1MAPTCYP2D6TSHR
SCHEMBL4554020 0.72 KDM4E (0.61) SMN1; SMN2ALDH1A1MAPTTSHRCYP2C19
SCHEMBL20595150 0.72 KDM4E (0.61) SMN1; SMN2ALDH1A1MAPTTSHRCYP2C19
SCHEMBL18702061 0.71 ALDH1A1 (0.57) ALDH1A1MAPTTSHRHTR2AHTR2C

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 EPHX2 796/4885SMN1; SMN2 3573/4885ALDH1A1 14/4885

“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.