SCHEMBL3729285

SCHEMBL3729285

COc1cc(C)c(S(=O)(=O)N2CCCc3ccc(CC(=O)N4CCC5(CCNC5)CC4)cc32)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CPT1A P50416 3/20 0.40
CPT1B Q92523 3/20 0.40
ALDH1A1 P00352 4/20 0.38
CPT2 P23786 1/20 0.38
GHSR Q92847 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 3/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
HTR6 P50406 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TSHR P16473 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
RORC P51449 1/20 0.34
MEN1 O00255 1/20 0.34

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
Hydrochloric Acid SCHEMBL3084705 0.99 L3MBTL1 (0.39) L3MBTL1CPT1ACPT1BALDH1A1CPT2
SCHEMBL3095999 0.88 CPT1A (0.42) L3MBTL1CPT1ACPT1BALDH1A1CPT2
SCHEMBL3084047 0.85 BDKRB1 (0.41) L3MBTL1CPT1ACPT1BALDH1A1CPT2
SCHEMBL3090095 0.85 GHSR (0.42) L3MBTL1CPT1ACPT1BALDH1A1CPT2
SCHEMBL3084269 0.84 CYP2D6 (0.47) L3MBTL1ALDH1A1GHSRSMN1; SMN2CYP3A4
SCHEMBL3091486 0.84 CPT1A (0.39) L3MBTL1CPT1ACPT1BALDH1A1CPT2
Hydrochloric Acid SCHEMBL3082447 0.84 GHSR (0.41) L3MBTL1CPT1ACPT1BALDH1A1CPT2
SCHEMBL3101942 0.83 CYP3A4 (0.46) CPT1ACPT1BALDH1A1GHSRCYP3A4
SCHEMBL3090838 0.83 GHSR (0.40) L3MBTL1CPT1ACPT1BALDH1A1CPT2
SCHEMBL3096403 0.82 GHSR (0.39) L3MBTL1CPT1ACPT1BALDH1A1CPT2

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
EP-2393812-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP 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
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B L3MBTL1 4344/4885CPT1A 4096/4885CPT1B 2820/4885

“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.