SCHEMBL7522083

SCHEMBL7522083

NC(CCC1CCCC1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
METAP1 P53582 1/20 0.39
ADRA2C P18825 1/20 0.32
GNAO1 P09471 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL7471954 0.98 SIGMAR1 (0.47) SIGMAR1METAP1ADRA2CGNAO1RAD52
SCHEMBL11214645 0.76
SCHEMBL28970037 0.75 SLC6A4 (0.32)
SCHEMBL2116575 0.71 SIGMAR1 (0.36) SIGMAR1GNAO1
SCHEMBL991079 0.69 SLC6A4 (0.31)
SCHEMBL6413142 0.69 SIGMAR1 (0.36) SIGMAR1GNAO1
SCHEMBL542927 0.68 SIGMAR1 (0.43) SIGMAR1GNAO1
SCHEMBL2052871 0.68 MEN1 (0.34)
SCHEMBL11181437 0.67 RAD52 (0.52) SIGMAR1ADRA2CGNAO1RAD52
SCHEMBL7957882 0.67 CYP1A2 (0.44) SIGMAR1METAP1GNAO1

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-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 (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-20020019384-A1 Alkylamine derivatives of dihydropyridine NPY antagonists NPY1R, NPY2R, NPY4R SIGMAR1 108/4885METAP1 1292/4885ADRA2C 118/4885

“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.