SCHEMBL3980241

SCHEMBL3980241

Cc1ccccc1N1CCN(C2CC3CCC2C3)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.58
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
ADRB1 P08588 1/20 0.44
LMNA P02545 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.41
AXL P30530 1/20 0.41
KDR P35968 1/20 0.41
AR P10275 2/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 1/20 0.39
OPRL1 P41146 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
SCHEMBL13698480 0.91 SLC18A3 (0.58) SLC18A3KDM4EKMT2AADRB1LMNA
SCHEMBL13698536 0.89 ALDH1A1 (0.49) SLC18A3KDM4EKMT2AMEN1PKM
SCHEMBL13698499 0.84 KDM4E (0.50) SLC18A3KDM4EKMT2AMEN1PKM
SCHEMBL13698501 0.83 KDM4E (0.50) SLC18A3KDM4EKMT2AMEN1PKM
SCHEMBL13698419 0.83 SLC18A3 (0.60) SLC18A3KDM4EKMT2AMEN1LMNA
SCHEMBL13698458 0.83 KDM4E (0.49) KDM4EKMT2APKMTSHRALDH1A1
SCHEMBL13698457 0.82 SLC18A3 (0.61) SLC18A3KDM4EMCOLN3ALDH1A1
SCHEMBL13698508 0.82 KDM4E (0.46) SLC18A3KDM4EKMT2AMEN1PKM
SCHEMBL13698511 0.81 NPSR1 (0.51) SLC18A3KDM4EKMT2AMEN1LMNA
SCHEMBL13698523 0.81 SLC18A3 (0.55) SLC18A3KMT2AMEN1ADRB1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-20050137211-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 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 (2 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-20050137211-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 SLC18A3 187/4885KDM4E 2199/4885KMT2A 1668/4885
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 SLC18A3 187/4885KDM4E 2199/4885KMT2A 1668/4885

“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.