SCHEMBL485374

SCHEMBL485374

Cn1nnc2cc(CN3CCC4(CC3)CCN(C(=O)c3ccc5c(c3)C(NC(=O)c3cc(Cl)ccc3F)CC5)CC4)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 3/20 0.37
CCR8 P51685 2/20 0.37
HSD11B1 P28845 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
ACKR3 P25106 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
USP2 O75604 1/20 0.36
BDKRB1 P46663 2/20 0.35

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
SCHEMBL485147 0.96 HSD11B1 (0.36) CHRM2CHRM3HPGDSMN1; SMN2KCNH2
SCHEMBL485145 0.88 HSD11B1 (0.40) CHRM2CHRM3HPGDSMN1; SMN2CYP2D6
SCHEMBL2822137 0.88 CYP3A4 (0.41) CHRM2CHRM3SMN1; SMN2CYP2D6CYP3A4
SCHEMBL484783 0.88 CHRM2 (0.45) CHRM2CHRM3CYP2D6CYP3A4CYP2C9
SCHEMBL2815796 0.87 CYP3A4 (0.40) HPGDSMN1; SMN2CYP2D6CYP3A4CYP2C9
SCHEMBL485046 0.86 CYP3A4 (0.52) CHRM2CHRM3HPGDSMN1; SMN2CYP2D6
SCHEMBL484512 0.85 CYP2D6 (0.37) HPGDSMN1; SMN2CYP2D6CYP3A4CYP2C9
SCHEMBL2819857 0.85 HSD11B1 (0.39) CHRM2CHRM3HPGDSMN1; SMN2KCNH2
SCHEMBL485376 0.85 CCR8 (0.46) CHRM2CHRM3SMN1; SMN2CYP2D6CYP3A4
SCHEMBL484811 0.84 ACKR3 (0.38) CHRM2CHRM3HPGDCYP2D6CYP3A4

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 CHRM2 561/4885CHRM3 903/4885HPGD 386/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CHRM2 561/4885CHRM3 903/4885HPGD 386/4885

“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.