SCHEMBL644038

SCHEMBL644038

ON=CC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
FKBP1A P62942 1/20 0.37
POLB P06746 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 1/20 0.36
CTSS P25774 3/20 0.36
ABCB1 P08183 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL2491899 1.00 ALDH1A1 (0.37) ALDH1A1HTTFKBP1APOLBSIGMAR1
SCHEMBL644037 1.00 ALDH1A1 (0.37) ALDH1A1HTTFKBP1APOLBSIGMAR1
SCHEMBL646834 0.90 KDM4E (0.34) ALDH1A1SIGMAR1TSHRMAPT
SCHEMBL646835 0.90 KDM4E (0.34) ALDH1A1SIGMAR1TSHRMAPT
SCHEMBL2493193 0.90 KDM4E (0.34) ALDH1A1SIGMAR1TSHRMAPT
SCHEMBL644715 0.85 ALDH1A1 (0.41) ALDH1A1HTTFKBP1APOLBSIGMAR1
SCHEMBL644387 0.81 ALDH1A1 (0.39) ALDH1A1HTTFKBP1APOLBSIGMAR1
SCHEMBL493031 0.81 POLB (0.41) ALDH1A1HTTFKBP1APOLBSIGMAR1
SCHEMBL644191 0.79 POLB (0.42) ALDH1A1HTTFKBP1APOLBSIGMAR1
SCHEMBL644459 0.79 POLB (0.40) ALDH1A1HTTFKBP1APOLBSIGMAR1

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 ALDH1A1 511/4885HTT 1796/4885FKBP1A 166/4885

“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.