SCHEMBL5850446

SCHEMBL5850446

CCOC(=O)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(CC)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
P2RY12 Q9H244 12/20 0.48
HTR6 P50406 1/20 0.47
MEN1 O00255 3/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 1/20 0.43
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL5851018 0.89 P2RY12 (0.48) P2RY12HTR6MEN1
SCHEMBL5850428 0.89 P2RY12 (0.47) ALDH1A1P2RY12HTR6MEN1KMT2A
SCHEMBL7051316 0.87 HTR6 (0.64) ALDH1A1P2RY12HTR6MEN1KMT2A
SCHEMBL5849362 0.85 P2RY12 (0.49) ALDH1A1P2RY12HTR6MEN1KMT2A
SCHEMBL5851438 0.85 P2RY12 (0.49) ALDH1A1P2RY12HTR6MEN1KMT2A
SCHEMBL5850593 0.85 TLR9 (0.57) P2RY12HTR6MEN1TLR9
SCHEMBL4723775 0.84 P2RY12 (0.49) ALDH1A1P2RY12HTR6MEN1KMT2A
SCHEMBL4914250 0.84 P2RY12 (0.49) ALDH1A1P2RY12HTR6MEN1KMT2A
SCHEMBL5851554 0.83 P2RY12 (0.48) ALDH1A1P2RY12HTR6MEN1KMT2A
SCHEMBL5849695 0.83 P2RY12 (0.54) P2RY12HTR6MEN1

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 MAPT 4002/4885ALDH1A1 3346/4885KDM4E 2962/4885

“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.