SCHEMBL484738

SCHEMBL484738

Cc1noc(C)c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1c(F)cccc1Cl)CC3)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
EPHX2 P34913 1/20 0.38
CYP3A4 P08684 6/20 0.38
CYP2D6 P10635 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 1/20 0.37
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2816015 0.96 CYP2C9 (0.43) CYP2C9CYP3A4CYP2D6MEN1KMT2A
SCHEMBL484418 0.93 CYP2C9 (0.40) CYP2C9CYP3A4CYP2D6MEN1KMT2A
SCHEMBL484426 0.90 CYP2C9 (0.38) CYP2C9CYP3A4CYP2D6CYP1A2MAPK1
SCHEMBL485063 0.89 CYP2C9 (0.41) CYP2C9CYP3A4CYP2D6MAPK1USP2
SCHEMBL484502 0.87 ACHE (0.42) EPHX2CYP3A4CYP2D6CYP1A2MAPK1
SCHEMBL484639 0.86 EPHX2 (0.37) CYP2C9EPHX2CYP3A4CYP2D6CYP1A2
SCHEMBL2817018 0.85 CYP2D6 (0.45) CYP2C9EPHX2CYP3A4CYP2D6CYP1A2
SCHEMBL485012 0.85 CYP2C9 (0.45) CYP2C9CYP3A4CYP2D6MAPK1USP2
SCHEMBL484547 0.85 CYP2D6 (0.45) CYP2C9CYP3A4CYP2D6MEN1KMT2A
SCHEMBL2816701 0.85 CRHR1 (0.41) CYP3A4CYP2D6USP2CYP2C19

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 8 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
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 CYP2C9 2259/4885EPHX2 905/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2C9 2259/4885EPHX2 905/4885CYP3A4 3781/4885

“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.