SCHEMBL4066342

SCHEMBL4066342

CCN(CC)c1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.42
SLC6A9 P48067 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GPR6 P46095 1/20 0.41
GPR55 Q9Y2T6 2/20 0.40
KCNH2 Q12809 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
F10 P00742 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 2/20 0.38
CNR1 P21554 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4065660 0.82 NPC1 (0.57) NPC1TP53
SCHEMBL4065962 0.81 SLC6A9 (0.56) SLC6A9KCNH2SLC6A5
SCHEMBL4827134 0.81 SLC6A9 (0.55) HTR3AHRH4SLC6A9ALDH1A1KCNH2
SCHEMBL4060320 0.80 SLC6A9 (0.61) HTR3AHRH4HRH3SLC6A9ALDH1A1
SCHEMBL4056678 0.79 SLC6A9 (0.55) HTR3AHRH4HRH3SLC6A9ALDH1A1
SCHEMBL4242321 0.78 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5
SCHEMBL14445745 0.78 SLC6A9 (0.50) HTR3AHRH4SLC6A9KCNH2SLC6A5
SCHEMBL4242325 0.78 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5
SCHEMBL3875099 0.75 SLC6A9 (0.49) SLC6A9ALDH1A1KCNH2SLC6A5F10
SCHEMBL4058079 0.71 DRD2 (0.45) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101072762-B Phenyl-piperazin methanone derivatives HOFFMANN LA ROCHE 2010-06-23 CN disclosed
EP-1828154-B1 PHENYL-PIPERAZIN METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-29 EP disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
EP-1828154-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 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-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups GRIK5, GRM5, GRIN2C HTR3A 168/4885HRH4 205/4885HRH3 213/4885
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 HTR3A 132/4885HRH4 68/4885HRH3 117/4885

“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.