SCHEMBL484465

SCHEMBL484465

O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CC1)CCN(c1ccc(F)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.44
USP2 O75604 7/20 0.44
CYP1A2 P05177 5/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
TSHR P16473 5/20 0.44
CYP2D6 P10635 4/20 0.44
HSD11B1 P28845 3/20 0.41
ALDH1A1 P00352 5/20 0.41
HIF1A Q16665 4/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 7/20 0.40
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BDKRB1 P46663 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
SCHEMBL484295 0.91 BDKRB1 (0.48) CYP3A4USP2CYP1A2KMT2AMEN1
SCHEMBL2816003 0.90 CYP3A4 (0.47) CYP3A4USP2CYP1A2KMT2AMEN1
SCHEMBL485141 0.88 HSD11B1 (0.41) KMT2ACYP2D6HSD11B1MAPK1LMNA
SCHEMBL485090 0.87 ALDH1A1 (0.42) CYP3A4USP2CYP1A2KMT2AMEN1
SCHEMBL485749 0.86 HSD11B1 (0.43) CYP3A4USP2CYP1A2KMT2AMEN1
SCHEMBL484808 0.86 BDKRB1 (0.43) CYP3A4USP2CYP1A2KMT2AMEN1
SCHEMBL484277 0.86 CYP2C9 (0.45) CYP3A4USP2CYP1A2KMT2AMEN1
SCHEMBL484380 0.86 HSD11B1 (0.40) CYP3A4USP2CYP1A2TSHRCYP2D6
SCHEMBL486049 0.83 HSD11B1 (0.39) HSD11B1
SCHEMBL2816807 0.82 CYP3A4 (0.46) CYP3A4USP2CYP1A2KMT2AMEN1

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 4864/4885CYP1A2 3400/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885USP2 4864/4885CYP1A2 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.