SCHEMBL5848957

SCHEMBL5848957

CCCc1nc(N2CCN(C(=O)CCCOn3nnc4ccccc43)CC2)c2cc(CC)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.46
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL5849025 0.95 P2RY12 (0.47) P2RY12MEN1ALDH1A1NPC1RAB9A
SCHEMBL5849442 0.90 P2RY12 (0.47) P2RY12MEN1
SCHEMBL5848849 0.90 HTR6 (0.48) P2RY12MEN1
SCHEMBL5851053 0.90 P2RY12 (0.47) P2RY12MEN1ALDH1A1NPC1RAB9A
SCHEMBL5849233 0.90 P2RY12 (0.47) P2RY12MEN1
SCHEMBL5851499 0.89 P2RY12 (0.48) P2RY12MEN1ALDH1A1NPC1RAB9A
SCHEMBL5851544 0.89 P2RY12 (0.46) P2RY12MEN1
SCHEMBL5851437 0.88 P2RY12 (0.52) P2RY12MEN1
SCHEMBL5850931 0.88 P2RY12 (0.46) P2RY12MEN1
SCHEMBL5850808 0.88 P2RY12 (0.46) P2RY12MEN1

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 2603/4885ALDH1A1 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.