SCHEMBL643835

SCHEMBL643835

O=C1CCC(C(CCc2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
CTSS P25774 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL643236 0.88 ACE (0.40) SIGMAR1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL645172 0.86 ACE (0.41) SIGMAR1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL644191 0.85 POLB (0.42) FKBP1ALMNAPOLBSIGMAR1ALDH1A1
SCHEMBL644387 0.85 ALDH1A1 (0.39) FKBP1ALMNAPOLBSIGMAR1ALDH1A1
SCHEMBL493031 0.84 POLB (0.41) FKBP1ALMNAPOLBSIGMAR1ALDH1A1
SCHEMBL644715 0.84 ALDH1A1 (0.41) FKBP1ALMNAPOLBSIGMAR1ALDH1A1
SCHEMBL644459 0.82 POLB (0.40) FKBP1ALMNAPOLBSIGMAR1ALDH1A1
SCHEMBL645657 0.81 HTT (0.40) FKBP1ALMNAPOLBSIGMAR1ALDH1A1
SCHEMBL2491899 0.78 ALDH1A1 (0.37) FKBP1ALMNAPOLBSIGMAR1ALDH1A1
SCHEMBL644037 0.78 ALDH1A1 (0.37) FKBP1ALMNAPOLBSIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A FKBP1A 166/4885LMNA 2721/4885POLB 3350/4885

“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.