SCHEMBL2822137

SCHEMBL2822137

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)CC3)cc21)c1cc(Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C9 P11712 5/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM3 P20309 2/20 0.41
KCNH2 Q12809 3/20 0.40
CCR8 P51685 2/20 0.40
HIF1A Q16665 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 3/20 0.38
ACKR3 P25106 1/20 0.38
TSHR P16473 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 2/20 0.37
PARP1 P09874 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
SCHEMBL484811 0.96 ACKR3 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL485047 0.93 MCHR1 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL484783 0.91 CHRM2 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL485046 0.91 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2816320 0.89 MCHR1 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL485374 0.88 CHRM2 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL484557 0.87 CYP2D6 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL484981 0.87 USP2 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2819125 0.87 ACKR3 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL485376 0.87 CCR8 (0.46) CYP3A4CYP2D6CYP2C9CYP1A2CHRM2

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 6 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 CYP3A4 3781/4885CYP2D6 1926/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP2D6 1926/4885CYP2C9 2259/4885

“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.