SCHEMBL644641

SCHEMBL644641

c1ccc(CCC(C2CCC3(CC2)OCCO3)N2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CCR5 P51681 2/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A3 Q01959 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 0.99 HTT (0.40) KMT2AMEN1HTTALDH1A1CCR5
SCHEMBL645657 0.90 HTT (0.40) KMT2AMEN1HTTALDH1A1GRIN1
SCHEMBL644075 0.88 MC4R (0.44) KMT2AMEN1HTTALDH1A1GRIN1
SCHEMBL646013 0.79 SIGMAR1 (0.41) KMT2AMEN1ALDH1A1SIGMAR1TSHR
SCHEMBL493284 0.78 SIGMAR1 (0.41) KMT2AMEN1ALDH1A1SIGMAR1TSHR
SCHEMBL645172 0.78 ACE (0.41) KMT2AALDH1A1SIGMAR1TSHRCYP1A2
SCHEMBL643236 0.77 ACE (0.40) SIGMAR1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL642907 0.74 SLC6A3 (0.37) KMT2AMEN1SIGMAR1TSHRCYP1A2
SCHEMBL644061 0.74 ACE (0.38) KMT2AALDH1A1CCR5SIGMAR1TSHR
SCHEMBL643653 0.74 OPRM1 (0.52) KMT2AHTTALDH1A1TSHRCYP1A2

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 KMT2A 2577/4885MEN1 4243/4885HTT 1796/4885

“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.