SCHEMBL3973534

SCHEMBL3973534

COc1ccc(Cl)cc1N1CCNC(C)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.68
HTR3B O95264 1/20 0.68
HTR3A P46098 1/20 0.68
HTR3D Q70Z44 1/20 0.68
HTR3C Q8WXA8 1/20 0.68
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.47
HTR6 P50406 6/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
BRPF1 P55201 2/20 0.43
BRD4 O60885 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GHSR Q92847 1/20 0.42

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
SCHEMBL1904488 0.81 ALDH1A1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1901039 0.81 ALDH1A1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL232950 0.81 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1901041 0.81 ALDH1A1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5569136 0.80 ALDH1A1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5567965 0.80 ALDH1A1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5567969 0.80 ALDH1A1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25407029 0.80 DRD2 (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1714119 0.80 HTR3A (0.97) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27680822 0.80 DRD2 (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C

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 9 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
EP-1673089-A2 PHENYL-PIPERAZINE DERIVATIVES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2006-06-28 EP disclosed
US-20050137211-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005030188-A2 PHENYL-PIPERAZINE DERIVATIVES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-07 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 (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 HTR3E 284/4885HTR3B 190/4885HTR3A 176/4885
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HTR3E 284/4885HTR3B 190/4885HTR3A 176/4885

“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.