SCHEMBL484418

SCHEMBL484418

Cc1cccc(Cl)c1C(=O)NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5c(C)noc5C)CC4)C3)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 7/20 0.39
CYP2D6 P10635 3/20 0.39
USP2 O75604 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
RECQL P46063 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.35
DDR1 Q08345 1/20 0.35
CYP1A2 P05177 3/20 0.35
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
BDKRB1 P46663 1/20 0.34

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
SCHEMBL484738 0.93 CYP2C9 (0.39) CYP2C9CYP3A4CYP2D6USP2MAPK1
SCHEMBL484426 0.91 CYP2C9 (0.38) CYP2C9CYP3A4CYP2D6USP2MAPK1
SCHEMBL485063 0.91 CYP2C9 (0.41) CYP2C9CYP3A4CYP2D6USP2MAPK1
SCHEMBL2816015 0.89 CYP2C9 (0.43) CYP2C9CYP3A4CYP2D6USP2MAPK1
SCHEMBL484986 0.88 LMNA (0.39) SMN1; SMN2DDR1MEN1LMNAPOLB
SCHEMBL484502 0.88 ACHE (0.42) CYP3A4CYP2D6MAPK1SMN1; SMN2TSHR
SCHEMBL485012 0.86 CYP2C9 (0.45) CYP2C9CYP3A4CYP2D6USP2MAPK1
SCHEMBL484332 0.85 BDKRB1 (0.38) CYP2C9CYP3A4CYP2D6USP2ALDH1A1
SCHEMBL484835 0.85 DDR1 (0.39) DDR1BDKRB1
SCHEMBL484493 0.85 CYP3A4 (0.48) CYP2C9CYP3A4CYP2D6USP2MAPK1

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 10 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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 2259/4885CYP3A4 3781/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2C9 2259/4885CYP3A4 3781/4885CYP2D6 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.