SCHEMBL2817962

SCHEMBL2817962

Cc1ccccc1CC(=O)NC1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.45
P2RX7 Q99572 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TAOK3 Q9H2K8 1/20 0.41
LMNA P02545 2/20 0.41
DHODH Q02127 1/20 0.41
USP2 O75604 1/20 0.41
DRD3 P35462 1/20 0.41
CTSS P25774 1/20 0.41
WDR5 P61964 2/20 0.40

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
SCHEMBL2817956 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1P2RX7PDE4A
SCHEMBL2818541 0.89 KMT2A (0.48) MEN1KMT2AALDH1A1P2RX7PDE4A
SCHEMBL2818542 0.89 KMT2A (0.48) MEN1KMT2AALDH1A1P2RX7PDE4A
SCHEMBL784802 0.86 P2RX7 (0.48) ALDH1A1P2RX7PDE4APDE4BPDE4C
SCHEMBL2818832 0.86 RAB9A (0.46) ALDH1A1P2RX7PDE4APDE4BPDE4C
SCHEMBL785553 0.86 P2RX7 (0.48) ALDH1A1P2RX7PDE4APDE4BPDE4C
SCHEMBL2818836 0.86 RAB9A (0.46) ALDH1A1P2RX7PDE4APDE4BPDE4C
SCHEMBL785145 0.84 HTR1A (0.48) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL785755 0.84 HTR1A (0.48) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL485043 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1PDE4APDE4B

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 2136/4885ALDH1A1 2086/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MEN1 901/4885KMT2A 2136/4885ALDH1A1 2086/4885

“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.