SCHEMBL7512944

SCHEMBL7512944

CC(C)CN1CCN(CCCN)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KEAP1 Q14145 1/20 0.48
ALOX15 P16050 1/20 0.44
PIK3CD O00329 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
TP53 P04637 1/20 0.38

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
SCHEMBL23471459 0.92 SIGMAR1 (0.43) SMN1; SMN2KEAP1ALOX15PIK3CDSIGMAR1
SCHEMBL1308167 0.86 ALOX15 (0.62) SMN1; SMN2ALOX15PIK3CDSIGMAR1CYP2D6
SCHEMBL22856157 0.85 HRH2 (0.38) SMN1; SMN2KEAP1PIK3CDHSD17B10
SCHEMBL9801269 0.85 KEAP1 (0.47) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
SCHEMBL9801386 0.83 KEAP1 (0.45) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
SCHEMBL19840405 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
SCHEMBL25461051 0.83 PIK3CD (0.44) SMN1; SMN2PIK3CDSIGMAR1CYP2D6TP53
SCHEMBL101501 0.81 KEAP1 (0.67) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
SCHEMBL1616800 0.81
SCHEMBL21015883 0.80 PIK3CD (0.45) SMN1; SMN2PIK3CDCYP2D6TP53

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 SMN1; SMN2 2849/4885KEAP1 3493/4885ALOX15 2207/4885

“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.