SCHEMBL484916

SCHEMBL484916

O=C(O)N1CCC2(CC1)CCN(c1ccncc1)C2

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.68
ITGA2B P08514 10/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CYP3A4 P08684 6/20 0.65
CYP2C9 P11712 4/20 0.65
CYP2C19 P33261 3/20 0.65
HSD17B10 Q99714 1/20 0.65
TSHR P16473 2/20 0.62
ALDH1A1 P00352 1/20 0.62
HIF1A Q16665 1/20 0.62
USP2 O75604 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62

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
SCHEMBL2819013 0.93 MEN1 (0.78) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL639215 0.93 CYP3A4 (0.68) ITGB3ITGA2BMEN1KMT2ACYP3A4
SCHEMBL640636 0.91 ITGB3 (0.67) ITGB3ITGA2BMEN1KMT2ACYP3A4
SCHEMBL641121 0.91 CYP2C9 (0.75) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL3088233 0.87 MEN1 (0.87) ITGB3ITGA2BMEN1KMT2ACYP3A4
SCHEMBL16611629 0.86 CYP2C9 (0.64) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
SCHEMBL23439910 0.86 CYP3A4 (0.67) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL484957 0.85 CYP3A4 (0.68) ITGB3ITGA2BMEN1KMT2ACYP3A4
SCHEMBL3099022 0.82 CYP3A4 (0.87) ITGB3ITGA2BMEN1KMT2ACYP3A4
SCHEMBL23932520 0.81 CYP2C9 (0.59) ITGB3ITGA2BMEN1KMT2ACYP3A4

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 ITGB3 3292/4885ITGA2B 3190/4885MEN1 901/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ITGB3 3292/4885ITGA2B 3190/4885MEN1 901/4885

“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.