SCHEMBL484770

SCHEMBL484770

O=C(O)N1CCC2(CCN(c3cccnc3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.54
CYP2C19 P33261 6/20 0.53
CYP2C9 P11712 6/20 0.53
USP2 O75604 7/20 0.49
ITGB3 P05106 3/20 0.49
ITGA2B P08514 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2D6 P10635 3/20 0.49
TSHR P16473 2/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
CYP1A2 P05177 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.46
CHRM4 P08173 1/20 0.46

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
SCHEMBL640636 0.83 ITGB3 (0.67) CYP3A4CYP2C19CYP2C9ITGB3ITGA2B
SCHEMBL484816 0.82 GPR119 (0.65) CYP3A4CYP2C19CYP2C9CYP2D6MEN1
SCHEMBL1981285 0.81 TRPV1 (0.55) ALDH1A1CHRNB2CHRNA4
SCHEMBL485507 0.79 ITGB3 (0.47) CYP3A4CYP2C19CYP2C9USP2ITGB3
SCHEMBL14996533 0.77 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL22941336 0.77 GPR119 (0.65) CYP3A4CYP2C19CYP2C9USP2ALDH1A1
SCHEMBL639215 0.76 CYP3A4 (0.68) CYP3A4CYP2C19CYP2C9USP2ITGB3
SCHEMBL5387067 0.76 CHRNB2 (0.55) CHRNB2CHRNA4
SCHEMBL2820398 0.76 GPR119 (0.71) CYP3A4CYP2C19CYP2C9USP2ALDH1A1
SCHEMBL30663941 0.76 CHRNB2 (0.51) CYP3A4CYP2C19CYP2C9CHRNB2CHRNA4

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 5 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 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 3781/4885CYP2C19 2325/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP2C19 2325/4885CYP2C9 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.