SCHEMBL5849772

SCHEMBL5849772

CCc1nc2c(N3CCN(C(=O)CCCOc4cccc5[nH]nnc45)CC3)ncnc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PDE3B Q13370 7/20 0.36
PDE3A Q14432 7/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
P2RY12 Q9H244 1/20 0.36
CNR1 P21554 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
NLRP1 Q9C000 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5851425 0.85 KMT2A (0.37) CNR2KMT2AMEN1PDE3BPDE3A
SCHEMBL5849747 0.83 CNR2 (0.37) CNR2KMT2AMEN1P2RY12MAPT
SCHEMBL5851457 0.82 ALDH1A1 (0.38) CNR2KMT2AMEN1AVPR2AVPR1A
SCHEMBL5850747 0.82 KMT2A (0.38) KMT2AMEN1PDE3BPDE3AAVPR2
SCHEMBL5851379 0.81 P2RY12 (0.56) KMT2AMEN1P2RY12MAPTALDH1A1
SCHEMBL5850944 0.81 MAPT (0.42) KMT2AMEN1P2RY12MAPTALDH1A1
SCHEMBL5850759 0.79 P2RY12 (0.42) KMT2AMEN1AVPR2AVPR1AP2RY12
SCHEMBL5850780 0.79 MAPT (0.49) MAPTLMNAHTTSMN1; SMN2TSHR
SCHEMBL5849659 0.79 KMT2A (0.41) CNR2KMT2AMEN1P2RY12CNR1
SCHEMBL5849217 0.79 P2RY12 (0.49) KMT2AMEN1P2RY12MAPTALDH1A1

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 CNR2 195/4885KMT2A 1823/4885MEN1 2603/4885

“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.