SCHEMBL645657

SCHEMBL645657

c1ccc(CCC(C2CCC3(CC2)OCCO3)N2CCOCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
POLB P06746 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 6/20 0.37
FKBP1A P62942 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
C5AR1 P21730 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
TSHR P16473 2/20 0.36
CTSS P25774 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ABCB1 P08183 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL644224 0.91 HTT (0.40) HTTPOLBSIGMAR1ALDH1A1KMT2A
SCHEMBL644641 0.90 KMT2A (0.41) HTTSIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL644075 0.88 MC4R (0.44) HTTSIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL644191 0.82 POLB (0.42) HTTPOLBSIGMAR1ALDH1A1FKBP1A
SCHEMBL643835 0.81 FKBP1A (0.42) HTTPOLBSIGMAR1ALDH1A1FKBP1A
SCHEMBL493031 0.81 POLB (0.41) HTTPOLBSIGMAR1ALDH1A1FKBP1A
SCHEMBL644459 0.79 POLB (0.40) HTTPOLBSIGMAR1ALDH1A1FKBP1A
SCHEMBL644715 0.78 ALDH1A1 (0.41) HTTPOLBSIGMAR1ALDH1A1FKBP1A
SCHEMBL644387 0.77 ALDH1A1 (0.39) HTTPOLBSIGMAR1ALDH1A1FKBP1A
SCHEMBL644234 0.76 OPRM1 (0.48) HTTPOLBALDH1A1LMNAKMT2A

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-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
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US 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 HTT 1796/4885POLB 3350/4885SIGMAR1 78/4885

“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.