SCHEMBL5849178

SCHEMBL5849178

CCc1cc2c(N3CCN(C(=O)N[C@H](C(=O)O)c4ccccc4)CC3)ncnc2s1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.68
P2RY12 Q9H244 6/20 0.68
HTT P42858 2/20 0.61
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 3/20 0.59
HRH4 Q9H3N8 1/20 0.54
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL7050148 0.86 P2RY12 (0.68) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849263 0.84 MEN1 (0.74) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5851284 0.83 MEN1 (0.73) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL12789922 0.81 P2RY12 (1.00) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5848818 0.80 MEN1 (0.69) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL7060963 0.80 MEN1 (0.78) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL7048532 0.79 MEN1 (0.67) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849207 0.79 MEN1 (0.76) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849200 0.79 P2RY12 (1.00) MEN1P2RY12HTTTSHRSMN1; SMN2
SCHEMBL5849314 0.79 P2RY12 (0.68) MEN1P2RY12HTTTSHRSMN1; SMN2

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-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
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 111/4885HTT 65/4885

“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.