SCHEMBL3100254

SCHEMBL3100254

COc1cc(C)c(S(=O)(=O)N2CCCc3ccc(C(=O)N4CCC5(CC4)CCN(Cc4ccccc4)C5=O)cc32)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 3/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
PKM P14618 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39

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
SCHEMBL3091889 0.89 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL3103081 0.88 RIPK1 (0.41) RIPK1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL3096161 0.84 RIPK1 (0.44) RIPK1SMN1; SMN2CYP2D6TSHRCYP3A4
SCHEMBL3077912 0.84 CYP3A4 (0.57) CYP2D6TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL3096379 0.79 CYP3A4 (0.57) CYP2D6TSHRCYP3A4CYP2C9ALDH1A1
SCHEMBL3089841 0.78 KMT2A (0.55) L3MBTL1TSHRKMT2AMEN1MAPT
SCHEMBL3091327 0.77 OPRK1 (0.43) RIPK1HDAC1HDAC6
SCHEMBL3077739 0.75 CYP3A4 (0.58) L3MBTL1SMN1; SMN2MAPK1CYP2D6TSHR
SCHEMBL3088262 0.75 L3MBTL1 (0.51) L3MBTL1TSHRKMT2AMEN1MAPT
SCHEMBL3089423 0.74 CYP2D6 (0.47) L3MBTL1CYP2D6TSHRCYP3A4CYP2C9

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 9 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 claimed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US claimed
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 RIPK1 3524/4885L3MBTL1 4344/4885SMN1; SMN2 2903/4885

“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.