SCHEMBL5849281

SCHEMBL5849281

CCCc1cc2c(N3CCN(C(=O)CCCOc4cccc5[nH]nnc45)C[C@@H]3C)nc(C)nc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.37
USP2 O75604 2/20 0.37
P2RY12 Q9H244 3/20 0.33
CNR2 P34972 1/20 0.32
ADAMTS5 Q9UNA0 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL5850953 0.85 P2RY12 (0.45) CHRM1P2RY12MEN1KMT2ALMNA
SCHEMBL5849225 0.85 P2RY12 (0.45) CHRM1P2RY12MEN1KMT2ALMNA
SCHEMBL5848852 0.83 HTR6 (0.47) P2RY12CNR2MEN1KMT2AALDH1A1
SCHEMBL5849217 0.80 P2RY12 (0.49) P2RY12MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5849276 0.80 CHRM1 (0.38) CHRM1USP2P2RY12CNR2CYP1A2
SCHEMBL5848959 0.79 P2RY12 (0.45) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5848989 0.78 P2RY12 (0.43) P2RY12MEN1KMT2ALMNAMAPT
SCHEMBL5850925 0.78 P2RY12 (0.43) P2RY12MEN1KMT2ALMNAMAPT
SCHEMBL5849046 0.78 P2RY12 (0.44) P2RY12MEN1KMT2ALMNAMAPT
SCHEMBL5850727 0.77 P2RY12 (0.48) P2RY12MEN1KMT2AMAPTSMN1; 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 CHRM1 4165/4885USP2 1482/4885P2RY12 111/4885

“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.