SCHEMBL3549902

SCHEMBL3549902

Cn1ccnc1C(=O)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LDHA P00338 8/20 0.41
LDHB P07195 8/20 0.41
PDE10A Q9Y233 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL12021076 0.87 TNK2 (0.43) TNK2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3549943 0.86 MEN1 (0.41) TNK2KMT2AMEN1LDHALDHB
SCHEMBL3549947 0.86 MEN1 (0.41) TNK2KMT2AMEN1LDHALDHB
SCHEMBL13318205 0.82 TNK2 (0.38) TNK2KMT2AMEN1LDHALDHB
SCHEMBL1186911 0.80 MEN1 (0.52) TNK2KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3544130 0.80 MEN1 (0.40) TNK2KMT2AMEN1HTTALDH1A1
SCHEMBL21780925 0.77 MEN1 (0.47) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL15088638 0.76 KMT2A (0.45) TNK2KMT2AMEN1PDE10ALMNA
SCHEMBL4804564 0.76 MEN1 (0.47) TNK2KMT2AMEN1PDE10AALDH1A1
SCHEMBL11767308 0.76 ELANE (0.52) KMT2AMEN1ALDH1A1LMNASMN1; 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893582-B1 Compounds, their pharmaceutical compositions and their use in treating metabolic disorders AMGEN INC (US) 2011-12-14 EP disclosed
EP-1893582-B1 Compounds, their pharmaceutical compositions and their use in treating metabolic disorders AMGEN INC (US) 2011-12-14 EP disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
EP-1893582-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-03-05 EP disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 WO disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 WO disclosed
WO-2006127503-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS AMGEN INC (US) 2006-11-30 WO disclosed
US-20060270724-A1 Compounds, pharmaceutical compositions and methods for their use in treating metabolic disorders AMGEN INC (US) 2006-11-30 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 (4 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-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX TNK2 4223/4885KMT2A 2325/4885MEN1 991/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX TNK2 4223/4885KMT2A 2325/4885MEN1 991/4885
US-20060270724-A1 Compounds, pharmaceutical compositions and methods for their use in treating metabolic disorders IAPP, INSR, GPR119 TNK2 3711/4885KMT2A 3271/4885MEN1 1119/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC TNK2 4140/4885KMT2A 1240/4885MEN1 684/4885

“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.