SCHEMBL484643

SCHEMBL484643

N#Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(N(C(=O)c2ccccc2Cl)C2CC2)CC4)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.46
USP2 O75604 10/20 0.46
CYP2D6 P10635 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TSHR P16473 7/20 0.45
CYP1A2 P05177 6/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
CYP2C9 P11712 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
PRKAA2 P54646 1/20 0.41

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
SCHEMBL484581 0.94 CYP3A4 (0.41) CYP3A4USP2CYP2D6SMN1; SMN2TSHR
SCHEMBL484723 0.90 AR (0.38) CYP3A4USP2CYP2D6SMN1; SMN2TSHR
SCHEMBL484434 0.89 CYP2D6 (0.39) CYP3A4USP2CYP2D6TSHRCYP1A2
SCHEMBL484682 0.87 CHRM2 (0.46) CYP3A4USP2CYP2D6SMN1; SMN2TSHR
SCHEMBL484872 0.86 CYP2D6 (0.39) CYP3A4USP2CYP2D6TSHRCYP1A2
SCHEMBL484818 0.85 CYP3A4 (0.44) CYP3A4USP2CYP2D6SMN1; SMN2TSHR
SCHEMBL484897 0.85 CCR8 (0.40) CYP3A4USP2CYP2D6SMN1; SMN2TSHR
SCHEMBL2820483 0.85 CYP2D6 (0.38) CYP3A4USP2CYP2D6SMN1; SMN2TSHR
SCHEMBL2818607 0.85 NAMPT (0.42)
SCHEMBL484954 0.85 CYP3A4 (0.50) CYP3A4USP2CYP2D6SMN1; SMN2TSHR

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 CYP3A4 3781/4885USP2 4864/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885USP2 4864/4885CYP2D6 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.