SCHEMBL3089449

SCHEMBL3089449

COc1cc(C)c(S(=O)(=O)N2CCCc3ccc(CC(=O)N4CCC5(CCN(c6ccncc6)CC5)C4)cc32)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.42
CYP2D6 P10635 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 5/20 0.41
TSHR P16473 3/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HIF1A Q16665 2/20 0.39
GHSR Q92847 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CPT1A P50416 1/20 0.37
CPT1B Q92523 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
SCHEMBL3096326 0.96 CYP3A4 (0.47) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3101942 0.96 CYP3A4 (0.46) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3084269 0.95 CYP2D6 (0.47) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3099184 0.91 CYP2D6 (0.48) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3096251 0.87 ITGB3 (0.40) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3095999 0.87 CPT1A (0.42) CYP3A4TSHRGHSRALDH1A1L3MBTL1
SCHEMBL3096403 0.84 GHSR (0.39) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3077739 0.84 CYP3A4 (0.58) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3091486 0.84 CPT1A (0.39) CYP3A4TSHRCYP11B2GHSRALDH1A1
SCHEMBL3090095 0.83 GHSR (0.42) CYP3A4TSHRGHSRALDH1A1L3MBTL1

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 CYP3A4 1215/4885CYP2D6 950/4885CYP1A2 1392/4885

“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.