SCHEMBL644459

SCHEMBL644459

NCC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
FKBP1A P62942 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PIK3CB P42338 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
ABCB1 P08183 2/20 0.35
CXCR4 P61073 1/20 0.35

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
SCHEMBL642907 0.88 SLC6A3 (0.37) SIGMAR1TSHRMEN1KMT2ACTSS
SCHEMBL493031 0.87 POLB (0.41) POLBSIGMAR1DPP4ALDH1A1HTT
SCHEMBL644191 0.83 POLB (0.42) POLBSIGMAR1ALDH1A1HTTFKBP1A
SCHEMBL643835 0.82 FKBP1A (0.42) POLBSIGMAR1ALDH1A1HTTFKBP1A
SCHEMBL644715 0.81 ALDH1A1 (0.41) POLBSIGMAR1ALDH1A1HTTFKBP1A
SCHEMBL645657 0.79 HTT (0.40) POLBSIGMAR1ALDH1A1HTTFKBP1A
SCHEMBL644037 0.79 ALDH1A1 (0.37) POLBSIGMAR1ALDH1A1HTTFKBP1A
SCHEMBL644038 0.79 ALDH1A1 (0.37) POLBSIGMAR1ALDH1A1HTTFKBP1A
SCHEMBL2491899 0.79 ALDH1A1 (0.37) POLBSIGMAR1ALDH1A1HTTFKBP1A
SCHEMBL644387 0.78 ALDH1A1 (0.39) POLBSIGMAR1ALDH1A1HTTFKBP1A

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 POLB 3350/4885SIGMAR1 78/4885DPP4 1309/4885

“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.