SCHEMBL485507

SCHEMBL485507

O=C(O)N1CCC2(CCN(c3ccc4cnccc4c3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGA2B P08514 6/20 0.47
CYP2C9 P11712 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HIF1A Q16665 5/20 0.47
TSHR P16473 4/20 0.47
CYP2D6 P10635 4/20 0.47
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
CYP2C19 P33261 6/20 0.45
CYP3A4 P08684 7/20 0.45
CYP1A2 P05177 4/20 0.45
USP2 O75604 3/20 0.45
ALOX15 P16050 1/20 0.43
PHGDH O43175 1/20 0.43

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
SCHEMBL484899 0.84 CYP11B2 (0.60) CYP2C9SMN1; SMN2HIF1ATSHRCYP2D6
SCHEMBL640636 0.81 ITGB3 (0.67) ITGB3ITGA2BCYP2C9SMN1; SMN2HIF1A
SCHEMBL14996523 0.80 PHGDH (0.43) CYP2C9SMN1; SMN2HIF1ATSHRCYP2D6
SCHEMBL484770 0.79 CYP3A4 (0.54) ITGB3ITGA2BCYP2C9SMN1; SMN2HIF1A
SCHEMBL13168229 0.77 PHGDH (0.41) ITGB3ITGA2BCYP2C9TSHRCYP2D6
SCHEMBL13131066 0.77 PHGDH (0.43) CYP2C9SMN1; SMN2HIF1ATSHRCYP2D6
Trifluoroacetic Acid SCHEMBL484753 0.76 MMP2 (0.44) CYP2C9SMN1; SMN2HIF1ATSHRCYP2D6
SCHEMBL13131249 0.74 CYP11B1 (0.51) CYP2C9TSHRCYP2D6MAPK1ALDH1A1
SCHEMBL639215 0.74 CYP3A4 (0.68) ITGB3ITGA2BCYP2C9SMN1; SMN2HIF1A
SCHEMBL16611629 0.74 CYP2C9 (0.64) ITGB3ITGA2BCYP2C9SMN1; SMN2HIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885CYP2C9 2259/4885

“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.