SCHEMBL1147161

SCHEMBL1147161

O=C(Nc1ccc(OC(F)(F)F)cc1)C1(O)CCN(S(=O)(=O)c2ccccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.51
CHRNB4 P30926 3/20 0.51
CHRNA3 P32297 3/20 0.51
CHRNA4 P43681 3/20 0.51
LIPE Q05469 5/20 0.50
EPHX2 P34913 5/20 0.48
CYP2C9 P11712 1/20 0.48
CNR2 P34972 1/20 0.48
PKM P14618 1/20 0.47
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
EPHX1 P07099 1/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
LMNA P02545 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
SCHEMBL1147307 0.90 LIPE (0.59) LIPEEPHX2PKMMMP2MMP13
SCHEMBL1146846 0.89 KMT2A (0.50) LIPEEPHX2PKMMMP2MMP13
SCHEMBL1147173 0.89 EPHX2 (0.55) LIPEEPHX2PKMMMP2MMP13
SCHEMBL15387573 0.86 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4LIPE
SCHEMBL1146710 0.85 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4PKM
SCHEMBL1146987 0.81 MAPT (0.68) LIPEEPHX2PKMEPHX1MAPT
SCHEMBL1147320 0.81 LIPE (0.47) CHRNB2CHRNB4CHRNA3CHRNA4LIPE
SCHEMBL1147254 0.81 EPHX2 (0.65) LIPEEPHX2CYP2C9PKMEPHX1
SCHEMBL12084988 0.80 LIPE (0.59) LIPEEPHX2PKMMMP2MMP13
SCHEMBL1146713 0.80 LIPE (0.45) CHRNB2CHRNB4CHRNA3CHRNA4LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US claimed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO claimed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 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-20110028515-A1 NEW PIPERIDINE DERIVATIVES ADRA1D, ADORA1, H1-0 CHRNB2 2284/4885CHRNB4 2662/4885CHRNA3 1304/4885

“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.