SCHEMBL485084

SCHEMBL485084

COc1ccc(C(=O)NC2CCc3ccc(C(=O)N4CCC5(CC4)CCN(c4ccc(C(F)(F)F)cc4)CC5)cc32)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
ALDH1A1 P00352 5/20 0.43
USP2 O75604 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE10A Q9Y233 1/20 0.42
TSHR P16473 3/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.39
CYP2C9 P11712 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38

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
SCHEMBL484342 0.91 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL484237 0.91 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL484690 0.90 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL484536 0.88 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL484980 0.88 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL484920 0.88 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL484308 0.86 CYP3A4 (0.53) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL484862 0.86 CYP3A4 (0.53) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL484387 0.86 CYP3A4 (0.50) CYP3A4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL484258 0.86 CYP3A4 (0.50) CYP3A4CYP1A2CYP2D6ALDH1A1USP2

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
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
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
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 CYP3A4 3781/4885CYP1A2 3400/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP1A2 3400/4885CYP2D6 1926/4885

“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.