SCHEMBL1355644

SCHEMBL1355644

C(=NOCc1ccccc1)C1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
LTA4H P09960 2/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL14071778 1.00 POLB (0.40) POLBLTA4HNPC1GAARAB9A
SCHEMBL5696766 1.00 POLB (0.40) POLBLTA4HNPC1GAARAB9A
SCHEMBL2475785 0.76 G6PC1 (0.42) NPC1GAARAB9ASMN1; SMN2HTR1A
SCHEMBL4801137 0.76 G6PC1 (0.42) NPC1GAARAB9ASMN1; SMN2HTR1A
SCHEMBL28210084 0.73 SLC6A4 (0.44) NPC1GAARAB9ASMN1; SMN2SLC6A2
Hydrochloric Acid SCHEMBL28858388 0.72 SLC6A4 (0.43) NPC1GAARAB9ASMN1; SMN2SLC6A2
SCHEMBL14071777 0.71 NPC1 (0.35) NPC1GAARAB9ASMN1; SMN2
SCHEMBL17956391 0.71 HCAR2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL17956393 0.71 HCAR2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL14040897 0.71 NPC1 (0.35) NPC1GAARAB9ASMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
EP-2253614-B1 Inhibitors of IAP NOVARTIS AG (CH) 2012-09-19 EP disclosed
EP-1735307-B1 INHIBITORS OF IAP NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
EP-1735307-A1 INHIBITORS OF IAP Novartis AG (CH) 2006-12-27 EP disclosed
EP-1680400-A2 DERIVATIVES OF N-[ PHENYL(PYRROLIDINE-2-YL)METHYL]BENZAMIDE AND N-[ (AZEPAN-2-YL)PHENYLMETHYL]BENZAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-07-19 EP disclosed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 WO disclosed
US-20050234042-A1 Organic compounds PALERMO MARK G 2005-10-20 US disclosed
WO-2005037785-A2 DERIVATIVES OF N-[PHENYL(PYRROLIDINE-2-YL)METHYL]BENZAMIDE AND N-[(AZEPAN-2-YL)PHENYLMETHYL]BENZAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-28 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-20080242658-A1 Inhibitors of Iap XIAP, BIRC2, BIRC5 POLB 3092/4885LTA4H 4090/4885NPC1 2401/4885
US-20050234042-A1 Organic compounds AIFM1, BAX, API5 POLB 669/4885LTA4H 4176/4885NPC1 2322/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 POLB 3140/4885LTA4H 4127/4885NPC1 3064/4885

“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.