SCHEMBL485012

SCHEMBL485012

Cc1noc(C)c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1ccccc1Cl)CC3)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
CYP3A4 P08684 3/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 3/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
SPTLC2 O15270 6/20 0.38
RECQL P46063 1/20 0.37
FFAR2 O15552 1/20 0.37

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
SCHEMBL485063 0.96 CYP2C9 (0.41) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL484426 0.91 CYP2C9 (0.38) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL2815722 0.89 USP2 (0.44) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL2816015 0.89 CYP2C9 (0.43) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL484418 0.86 CYP2C9 (0.40) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL2816701 0.85 CRHR1 (0.41) CYP3A4USP2CYP2D6
SCHEMBL484548 0.85 CYP2D6 (0.45) CYP2C9CYP3A4USP2MAPK1ALDH1A1
SCHEMBL484738 0.85 CYP2C9 (0.39) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL484650 0.85 TAS1R3 (0.40) CYP2C9CYP3A4MAPK1ALDH1A1CYP2D6
SCHEMBL485311 0.85 CYP2D6 (0.44) CYP2C9CYP3A4USP2MAPK1ALDH1A1

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
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
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 CYP2C9 2259/4885CYP3A4 3781/4885USP2 4864/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2C9 2259/4885CYP3A4 3781/4885USP2 4864/4885

“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.