SCHEMBL3082913

SCHEMBL3082913

O=C(O)Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1C(F)(F)F)CCC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.49
CPT1B Q92523 5/20 0.49
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CPT2 P23786 3/20 0.46
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RORC P51449 2/20 0.42
AKR1C3 P42330 1/20 0.42
NR1H3 Q13133 2/20 0.41
SLC22A12 Q96S37 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3096478 0.88 POLB (0.47) CPT1ACPT1BLMNAPKMKMT2A
SCHEMBL3084305 0.82 CPT1A (0.49) CPT1ACPT1BKMT2AMEN1ALDH1A1
SCHEMBL18601034 0.80 KMT2A (0.60) KMT2AMEN1
SCHEMBL3102258 0.79 LMNA (0.46) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL3095912 0.77 LMNA (0.43) LMNAPKMKMT2AMEN1ALDH1A1
SCHEMBL3096392 0.77 CPT1A (0.55) CPT1ACPT1BCPT2RORC
SCHEMBL3096233 0.73 SLC22A12 (0.52) CPT1ACPT1BKMT2AMEN1CPT2
SCHEMBL10167171 0.72 KMT2A (0.59) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL3088253 0.71 CPT1A (0.55) CPT1ACPT1BLMNAKMT2AMEN1
SCHEMBL3101933 0.71 ALDH1A1 (0.47) CPT1ACPT1BLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 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 (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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B CPT1A 4096/4885CPT1B 2820/4885LMNA 553/4885

“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.