SCHEMBL5848852

SCHEMBL5848852

CCc1cc2c(N3CCN(C(=O)CCCOc4cccc5[nH]nnc45)CC3)nc(C)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
P2RY12 Q9H244 13/20 0.46
CNR2 P34972 1/20 0.42
MEN1 O00255 5/20 0.41
GPR55 Q9Y2T6 1/20 0.40
ALDH1A1 P00352 1/20 0.39
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
SCHEMBL5849449 0.93 P2RY12 (0.46) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849030 0.93 P2RY12 (0.46) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5851548 0.92 P2RY12 (0.46) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5851056 0.92 P2RY12 (0.46) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849237 0.92 P2RY12 (0.46) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5848959 0.91 P2RY12 (0.45) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5851441 0.91 P2RY12 (0.51) P2RY12MEN1
SCHEMBL5850938 0.91 P2RY12 (0.45) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5849294 0.91 P2RY12 (0.45) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5848790 0.91 P2RY12 (0.45) P2RY12MEN1ALDH1A1KMT2A

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 HTR6 93/4885P2RY12 111/4885CNR2 195/4885

“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.