SCHEMBL3979601

SCHEMBL3979601

NCCCN1CCN(C2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.49
TMEM97 Q5BJF2 1/20 0.49
ABCB1 P08183 1/20 0.46
KEAP1 Q14145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7471957 0.98 SIGMAR1 (0.51) SIGMAR1TMEM97ABCB1
SCHEMBL7513389 0.92 KEAP1 (0.48) SIGMAR1TMEM97KEAP1SMN1; SMN2
SCHEMBL1306239 0.88 ALOX15 (0.56) SIGMAR1TMEM97ABCB1
SCHEMBL5841337 0.87 SIGMAR1 (0.49) SIGMAR1TMEM97
SCHEMBL17219705 0.86 ALOX15 (0.54) SIGMAR1TMEM97ABCB1
SCHEMBL6659238 0.85 SIGMAR1 (0.61) SIGMAR1TMEM97ABCB1
SCHEMBL6656817 0.85 SIGMAR1 (0.57) SIGMAR1TMEM97ABCB1
SCHEMBL24351554 0.85 KEAP1 (0.42) SIGMAR1TMEM97KEAP1SMN1; SMN2
SCHEMBL13091289 0.85 KEAP1 (0.42) SIGMAR1TMEM97KEAP1SMN1; SMN2
SCHEMBL6660619 0.83 SIGMAR1 (0.56) SIGMAR1TMEM97ABCB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 US disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 WO disclosed
US-6479482-B2 4-(3-((((3-(4-((3-METHYLBUTYL)AMINO)-1-PIPERIDINYL)PROPYL) -AMINO)-CARBONYL)AMINO)PHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5 -PYRIDINEDICARBOXYLIC ACID, DIMETHYL ESTER DIHYDROCHLORIDE, FOR EXAMPLE; ANOREXIANT; NEUROPEPTIDE Y (NPY) BRISTOL-MYERS SQUIBB COMPANY 2002-11-12 US disclosed
US-20020019384-A1 Alkylamine derivatives of dihydropyridine NPY antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-02-14 US disclosed
WO-2001085173-A1 ALKYLAMINE DERIVATIVES OF DIHYDROPYRIDINE NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO 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 (3 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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP SIGMAR1 4305/4885TMEM97 2735/4885ABCB1 2919/4885
US-20020019384-A1 Alkylamine derivatives of dihydropyridine NPY antagonists NPY1R, NPY2R, NPY4R SIGMAR1 108/4885TMEM97 1031/4885ABCB1 4625/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP SIGMAR1 4305/4885TMEM97 2735/4885ABCB1 2919/4885

“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.