SCHEMBL493382

SCHEMBL493382

NCC1CCC([CH]c2cccc(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.44
NFE2L2 Q16236 6/20 0.43
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
NPC1 O15118 1/20 0.40
CHRM5 P08912 1/20 0.40
GRM5 P41594 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
PRKCQ Q04759 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
SCHEMBL2676216 0.87 NFE2L2 (0.56) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL494555 0.80 HTR2A (0.37) BPTFHTR2AHTR2CHTR2BMAOA
SCHEMBL4283430 0.80 NFE2L2 (0.52) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL493565 0.70 CNR1 (0.40) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5521238 0.69 HTR2A (0.47) BPTFHTR2AHTR2CHTR2B
SCHEMBL5521233 0.69 HTR2A (0.47) BPTFHTR2AHTR2CHTR2B
SCHEMBL8748018 0.68 MAOB (0.53) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL27904620 0.68 MAOB (0.53) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL8028324 0.68 MAOB (0.53) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL8748022 0.68 MAOB (0.53) NFE2L2MAOAMAOBPTGS1PTGS2

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 4 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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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 (2 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD BPTF 1918/4885NFE2L2 666/4885HTR2A 1700/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A BPTF 2891/4885NFE2L2 1554/4885HTR2A 795/4885

“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.