SCHEMBL2821776

SCHEMBL2821776

COc1ccc(S(=O)(=O)N[C@@H]2CCc3ccc(C(=O)N4CCC5(CCN(c6ccncc6)CC5)C4)cc32)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.47
CYP2D6 P10635 6/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C9 P11712 6/20 0.45
TSHR P16473 7/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 5/20 0.41
PROKR1 Q8TCW9 2/20 0.40
USP2 O75604 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL484416 0.92 CYP3A4 (0.50) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL2815419 0.89 CYP3A4 (0.45) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484309 0.86 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL2821990 0.83 CYP3A4 (0.42) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL2815767 0.83 CYP2C9 (0.42) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL2819613 0.83 CYP3A4 (0.46) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484376 0.82 CYP3A4 (0.48) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL485280 0.82 CYP3A4 (0.48) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484556 0.82 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484878 0.82 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2CYP2C9TSHR

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 12 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (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 3781/4885CYP2D6 1926/4885CYP1A2 3400/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP2D6 1926/4885CYP1A2 3400/4885

“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.