SCHEMBL493622

SCHEMBL493622

CN1CCN(C(c2cccc(F)c2)C2CCNCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.46
CACNA1B Q00975 3/20 0.46
CACNB1 Q02641 3/20 0.46
CACNA1C Q13936 2/20 0.43
HTR6 P50406 2/20 0.41
SLC6A2 P23975 6/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL493568 0.84 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A2
SCHEMBL493178 0.84 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A2
SCHEMBL13294172 0.82 HTR6 (0.38) HTR6SLC6A2SLC6A4SLC6A3
SCHEMBL14148352 0.75 OPRM1 (0.42) CACNA2D1CACNA1BCACNB1HTR6SLC6A2
SCHEMBL10460455 0.74 HTR6 (0.50) HTR6SLC6A2SLC6A4SLC6A3
SCHEMBL19528703 0.73 MC4R (0.64) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL10461245 0.73 HTR6 (0.49) HTR6SLC6A2SLC6A4SLC6A3
SCHEMBL3396087 0.73 CACNA2D1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A2
SCHEMBL3395013 0.72 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A2
SCHEMBL2792351 0.72 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1C

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 5 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
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
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 CACNA2D1 638/4885CACNA1B 1416/4885CACNB1 3167/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A CACNA2D1 1158/4885CACNA1B 279/4885CACNB1 858/4885

“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.