SCHEMBL3096161

SCHEMBL3096161

COc1cc(C)c(S(=O)(=O)N2CCc3ccc(C(=O)N4CCC5(CC4)CCN(Cc4ccccc4)C5=O)cc3C2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.44
AKR1C3 P42330 2/20 0.44
OPRK1 P41145 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
OPRM1 P35372 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
USP7 Q93009 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
STS P08842 1/20 0.37

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
SCHEMBL3091327 0.93 OPRK1 (0.43) RIPK1AKR1C3OPRK1LMNA
SCHEMBL3100254 0.84 RIPK1 (0.44) RIPK1CYP2D6TSHRSMN1; SMN2ALDH1A1
SCHEMBL3096300 0.83 CYP3A4 (0.56) AKR1C3OPRK1CYP2D6TSHRALDH1A1
SCHEMBL3103081 0.80 RIPK1 (0.41) RIPK1SMN1; SMN2MAPTKMT2A
SCHEMBL3087228 0.78 OPRM1 (0.43) AKR1C3OPRK1LMNASMN1; SMN2OPRM1
SCHEMBL3100375 0.77 AKR1C3 (0.64) AKR1C3OPRK1PKM
SCHEMBL15062735 0.76 AKR1C3 (0.41) AKR1C3OPRK1LMNASMN1; SMN2ALDH1A1
SCHEMBL13151408 0.75 CYP3A4 (0.58) CYP2D6TSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3091889 0.75 L3MBTL1 (0.41) TSHRLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3079208 0.74 AKR1C3 (0.52) AKR1C3OPRK1LMNASMN1; SMN2ALDH1A1

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 10 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
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 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 3524/4885AKR1C3 194/4885OPRK1 205/4885

“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.