SCHEMBL485090

SCHEMBL485090

O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CC1)CCN(c1cccnc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
BDKRB1 P46663 1/20 0.41
CYP3A4 P08684 10/20 0.39
CYP1A2 P05177 5/20 0.39
USP2 O75604 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP2D6 P10635 3/20 0.39
HIF1A Q16665 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 3/20 0.39
CHRM2 P08172 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NAMPT P43490 1/20 0.37
MAPT P10636 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
JAK1 P23458 1/20 0.36
CCR5 P51681 1/20 0.36

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 0.92 BDKRB1 (0.48) ALDH1A1CYP2C9CYP2C19BDKRB1CYP3A4
SCHEMBL484349 0.90 CYP2C9 (0.42) ALDH1A1CYP2C9CYP2C19BDKRB1CYP3A4
SCHEMBL484277 0.87 CYP2C9 (0.45) ALDH1A1CYP2C9CYP2C19BDKRB1CYP3A4
SCHEMBL484808 0.87 BDKRB1 (0.43) ALDH1A1CYP2C9CYP2C19BDKRB1CYP3A4
SCHEMBL484465 0.87 CYP3A4 (0.44) ALDH1A1CYP2C9CYP2C19BDKRB1CYP3A4
SCHEMBL484954 0.84 CYP3A4 (0.50) ALDH1A1CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL484682 0.84 CHRM2 (0.46) ALDH1A1CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL484320 0.83 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19BDKRB1CYP3A4
SCHEMBL486049 0.82 HSD11B1 (0.39)
SCHEMBL484412 0.82 CYP3A4 (0.49) ALDH1A1CYP2C9CYP2C19BDKRB1CYP3A4

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 ALDH1A1 2086/4885CYP2C9 2259/4885CYP2C19 2325/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885CYP2C9 2259/4885CYP2C19 2325/4885

“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.