SCHEMBL484837

SCHEMBL484837

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc[nH]5)CC4)CC3)cc21)c1cc(Cl)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KCNH2 Q12809 5/20 0.37
CCR8 P51685 4/20 0.37
ACKR3 P25106 1/20 0.36
USP2 O75604 2/20 0.36
FASN P49327 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
GPR183 P32249 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL484614 0.96 GPR183 (0.35) CYP2D6CHRM2CHRM3MAPK1CYP3A4
SCHEMBL484276 0.89 TAS1R3 (0.42) CYP2D6CHRM2CHRM3MAPK1CYP3A4
SCHEMBL485333 0.88 CYP2D6 (0.42) CYP2D6CHRM2CHRM3MAPK1CYP3A4
SCHEMBL484783 0.87 CHRM2 (0.45) CYP2D6CHRM2CHRM3MAPK1CYP3A4
SCHEMBL485015 0.86 USP2 (0.41) CYP2D6CYP3A4CYP2C9CYP2C19USP2
SCHEMBL485046 0.86 CYP3A4 (0.52) CYP2D6CHRM2CHRM3MAPK1CYP3A4
SCHEMBL485068 0.85 CYP2D6 (0.42) CYP2D6CHRM2CHRM3MAPK1CYP3A4
SCHEMBL484580 0.85 HTR1A (0.43) CYP2D6CHRM2CHRM3MAPK1CYP3A4
SCHEMBL485609 0.85 CYP3A4 (0.37) CYP2D6CHRM2CHRM3MAPK1CYP3A4
SCHEMBL2819332 0.85 GABRD (0.41) FASNGPR183

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 CYP2D6 1926/4885CHRM2 561/4885CHRM3 903/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2D6 1926/4885CHRM2 561/4885CHRM3 903/4885

“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.