SCHEMBL5850792

SCHEMBL5850792

CCc1cc2c(N3CCN(C(=O)C4CCCCN4C(=O)OC(C)(C)C)CC3)ncnc2s1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.55
MEN1 O00255 9/20 0.54
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 4/20 0.51
HRH4 Q9H3N8 1/20 0.50
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5849775 0.97 P2RY12 (0.56) P2RY12MEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL19979444 0.89 P2RY12 (0.51) P2RY12MEN1KMT2A
SCHEMBL5850552 0.85 P2RY12 (0.68) P2RY12MEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5849430 0.84 P2RY12 (0.58) P2RY12MEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5850685 0.83 P2RY12 (0.55) P2RY12MEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5848991 0.80 MEN1 (0.65) P2RY12MEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL21160534 0.80 MEN1 (0.54) P2RY12MEN1KMT2A
SCHEMBL5849560 0.79 MEN1 (0.69) P2RY12MEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL21169458 0.78 MEN1 (0.43) P2RY12MEN1KMT2A
SCHEMBL19992126 0.78 MEN1 (0.43) P2RY12MEN1KMT2A

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 P2RY12 111/4885MEN1 2603/4885ALDH1A1 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.