SCHEMBL494555

SCHEMBL494555

NCC1CCC([CH]c2ccc(F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
HTR2B P41595 4/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PRKCQ Q04759 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
BPTF Q12830 1/20 0.33
KDM1A O60341 1/20 0.32
APP P05067 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32

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
SCHEMBL1119443 0.84 LMNA (0.42) LMNAMAPTHTTSMN1; SMN2MAOB
SCHEMBL493565 0.82 CNR1 (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL493382 0.80 BPTF (0.44) HTR2AHTR2CHTR2BPRKCQMAOB
SCHEMBL652509 0.77 NPC1 (0.42) LMNAMAPTHTTSMN1; SMN2MAOB
SCHEMBL8285774 0.72 LOXL2 (0.46) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL7249057 0.72 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3LMNAMAPT
SCHEMBL16861712 0.72 MAPT (0.37) LMNAMAPTHTTSMN1; SMN2MAOB
SCHEMBL18458914 0.68 HTR2C (0.44) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL18458742 0.68 SLC6A2 (0.44) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL5519440 0.68 EPHX2 (0.47)

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 HTR2A 1700/4885HTR2C 1728/4885HTR2B 2173/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A HTR2A 795/4885HTR2C 771/4885HTR2B 689/4885

“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.