SCHEMBL3101933

SCHEMBL3101933

COC(=O)Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3ccccc13)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 4/20 0.45
CPT1A P50416 3/20 0.45
CPT1B Q92523 3/20 0.45
CPT2 P23786 1/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPY5R Q15761 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 2/20 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
SCHEMBL3084305 0.88 CPT1A (0.49) ALDH1A1SMN1; SMN2KMT2ACPT1ACPT1B
SCHEMBL3096478 0.84 POLB (0.47) ALDH1A1SMN1; SMN2KMT2ACPT1ACPT1B
SCHEMBL3096475 0.78 CPT1A (0.44) ALDH1A1KMT2ACPT1ACPT1BCPT2
SCHEMBL15062820 0.77 KMT2A (0.47) SMN1; SMN2KMT2ACRHBPCRHR2MAPK1
SCHEMBL3091055 0.77 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2KMT2ACPT1ACPT1B
SCHEMBL3091954 0.76 HTR6 (0.39) ALDH1A1SMN1; SMN2KMT2ACPT1ACPT1B
SCHEMBL3102908 0.75 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AMAPK1TSHR
SCHEMBL3088755 0.75 CPT1A (0.49) CPT1ACPT1BCPT2TSHRMCOLN3
SCHEMBL3089857 0.74 CPT1A (0.44) ALDH1A1SMN1; SMN2KMT2ACPT1ACPT1B
SCHEMBL3084270 0.74 ITGB3 (0.41) ALDH1A1SMN1; SMN2KMT2AMAPK1TSHR

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 ALDH1A1 1303/4885SMN1; SMN2 2903/4885KMT2A 2897/4885

“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.