SCHEMBL3972625

SCHEMBL3972625

COc1ccc(Cl)cc1N1CCN(CC2CC3C=CC2C3)C(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SLC6A9 P48067 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 6/20 0.38
TSHR P16473 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL13698487 0.84 DRD2 (0.62) DRD2DRD4HTR3EHTR3BHTR3A
SCHEMBL13698493 0.84 DRD2 (0.43) DRD2DRD4HTR3EHTR3BHTR3A
SCHEMBL3973853 0.72 KDM4E (0.57) DRD2DRD4ALDH1A1KDM4ETSHR
SCHEMBL13698484 0.72 KDM4E (0.53) DRD2DRD4ALDH1A1KDM4ETSHR
SCHEMBL12897988 0.71 MEN1 (0.47) DRD2DRD4ALDH1A1KDM4ETSHR
SCHEMBL12896836 0.71 MEN1 (0.47) DRD2DRD4ALDH1A1KDM4ETSHR
SCHEMBL13764664 0.70 MAPT (0.52) DRD2DRD4HTR3EHTR3BHTR3A
SCHEMBL13698510 0.70 KDM4E (0.56) DRD2DRD4ALDH1A1KDM4ETSHR
SCHEMBL3189731 0.69 ALDH1A1 (0.54) DRD2DRD4HTR3EHTR3BHTR3A
SCHEMBL5748586 0.69 HTR3E (0.41) DRD2DRD4HTR3EHTR3BHTR3A

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 DRD2 506/4885DRD4 1095/4885HTR3E 284/4885
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 DRD2 506/4885DRD4 1095/4885HTR3E 284/4885

“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.