SCHEMBL2819013

SCHEMBL2819013

O=C(O)N1CCC2(CCCN(c3ccncc3)C2)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
CYP3A4 P08684 16/20 0.73
CYP2C19 P33261 11/20 0.73
CYP2C9 P11712 10/20 0.73
CYP2D6 P10635 8/20 0.73
CYP1A2 P05177 5/20 0.73
HIF1A Q16665 5/20 0.73
USP2 O75604 3/20 0.73
ALDH1A1 P00352 3/20 0.73
TSHR P16473 6/20 0.70
ALOX15 P16050 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.67
MAPK1 P28482 2/20 0.64

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
SCHEMBL484916 0.93 ITGB3 (0.68) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL484957 0.87 CYP3A4 (0.68) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL639215 0.86 CYP3A4 (0.68) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL640636 0.84 ITGB3 (0.67) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL641121 0.84 CYP2C9 (0.75) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL484568 0.81 CYP3A4 (0.77) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL25506005 0.80 CYP3A4 (0.69) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL484946 0.80 CYP3A4 (0.60) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL3088233 0.80 MEN1 (0.87) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL16611629 0.80 CYP2C9 (0.64) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2

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 3 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
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 MEN1 901/4885KMT2A 2136/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MEN1 901/4885KMT2A 2136/4885CYP3A4 3781/4885

“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.