SCHEMBL5849174

SCHEMBL5849174

CCc1cc2c(N3CCN(C(=O)CCCCOc4ccccc4)CC3)ncnc2s1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.70
MEN1 O00255 8/20 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 4/20 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
SCHEMBL5849516 0.99 P2RY12 (0.69) P2RY12MEN1HTTTSHRSMN1; SMN2
SCHEMBL5851472 0.97 P2RY12 (0.72) P2RY12MEN1HTTTSHRSMN1; SMN2
SCHEMBL5851330 0.89 MEN1 (0.74) P2RY12MEN1HTTTSHRSMN1; SMN2
SCHEMBL5849821 0.88 P2RY12 (0.62) P2RY12MEN1HTTTSHRSMN1; SMN2
SCHEMBL5849370 0.88 P2RY12 (0.71) P2RY12MEN1HTTTSHRSMN1; SMN2
SCHEMBL5851421 0.87 MEN1 (0.74) P2RY12MEN1HTTTSHRSMN1; SMN2
SCHEMBL5850584 0.87 P2RY12 (0.79) P2RY12MEN1HTTTSHRSMN1; SMN2
SCHEMBL5849406 0.87 P2RY12 (0.73) P2RY12MEN1HTTTSHRSMN1; SMN2
SCHEMBL5849724 0.86 P2RY12 (0.72) P2RY12MEN1HTTTSHRSMN1; SMN2
SCHEMBL5851358 0.86 P2RY12 (0.69) P2RY12MEN1HTTTSHRSMN1; 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 2 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

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 P2RY12 111/4885MEN1 2603/4885HTT 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.