SCHEMBL7052231

SCHEMBL7052231

CCc1cc2c(N3CCN(C(=O)C4CCCN(C(C)=O)C4)CC3)ncnc2s1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.59
P2RY12 Q9H244 6/20 0.59
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TSHR P16473 2/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 5/20 0.55
HRH4 Q9H3N8 1/20 0.55
HTT P42858 3/20 0.54
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL5851385 0.93 MEN1 (0.51) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR
SCHEMBL5848991 0.90 MEN1 (0.65) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR
SCHEMBL5850685 0.88 P2RY12 (0.55) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR
SCHEMBL5849560 0.87 MEN1 (0.69) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR
SCHEMBL5849192 0.85 MEN1 (0.74) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR
SCHEMBL7062866 0.84 MEN1 (0.64) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR
SCHEMBL7053447 0.83 MEN1 (0.59) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR
SCHEMBL5851372 0.80 MEN1 (0.62) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR
SCHEMBL5849207 0.80 MEN1 (0.76) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR
SCHEMBL7060963 0.79 MEN1 (0.78) MEN1P2RY12ALDH1A1SMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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 (1 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 MEN1 2603/4885P2RY12 111/4885ALDH1A1 3346/4885

“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.