SCHEMBL587788

SCHEMBL587788

Cc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.68
CYP3A5 P20815 2/20 0.68
MAOA P21397 1/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 2/20 0.57
CHRM2 P08172 2/20 0.57
HTR1A P08908 2/20 0.57
ADRA2A P08913 2/20 0.57
CHRM1 P11229 2/20 0.57
DRD1 P21728 2/20 0.57
TBXA2R P21731 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
ADRA1A P35348 2/20 0.57
DRD3 P35462 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KCNH2 Q12809 2/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL3622047 0.94 CYP3A4 (0.76) CYP3A4CYP3A5MAOAALDH1A1MEN1
SCHEMBL5251683 0.92 CYP3A4 (0.73) CYP3A4CYP3A5MAOAALDH1A1MEN1
SCHEMBL3619665 0.91 CYP3A4 (0.80) CYP3A4CYP3A5MAOAALDH1A1MEN1
SCHEMBL7098287 0.89 MAOA (0.60) CYP3A4CYP3A5MAOAALDH1A1MEN1
SCHEMBL3627302 0.87 CYP3A4 (0.64) CYP3A4CYP3A5MAOAALDH1A1MEN1
SCHEMBL13845030 0.87 CYP3A4 (0.64) CYP3A4CYP3A5MAOAALDH1A1MEN1
SCHEMBL31647216 0.83 LMNA (0.65) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL4754533 0.82 LMNA (0.62) MAOAALDH1A1MEN1KMT2AGAA
SCHEMBL5302826 0.82 ATM (0.57) CYP3A4CYP3A5MAOAALDH1A1MEN1
SCHEMBL8067855 0.80 CHRM2 (0.63) CYP3A4CYP3A5ALDH1A1MEN1KMT2A

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine COSSEMENT ERIC (BE) 2004-06-24 US claimed
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2004-06-24 US claimed
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2003-10-30 US claimed
EP-0617028-B1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl] piperazine UCB SA (BE) 2000-06-14 EP claimed
US-5478941-A Useful in treatment of asthma, allergies, inflammation and anxiety; antihistaminic activity U C B, S.A. (BE) 1995-12-26 US claimed
EP-0617028-A1 Enantiomers of 1-(4-chlorophenyl)phenylmethyl)-4-(4-methylphenyl)sulfonyl piperazine U C B, S.A. (BE) 1994-09-28 EP claimed
JP-7002816-A None JP disclosed
US-10322122-B2 Methods and compositions for treating degenerative and ischemic disorders THE GENERAL HOSPITAL CORPORATION (US) 2019-06-18 US disclosed
US-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION 2018-03-15 US disclosed
US-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION 2018-03-15 US disclosed
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders THE GENERAL HOSPITAL CORPORATION 2016-11-10 US disclosed
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders THE GENERAL HOSPITAL CORPORATION 2016-11-10 US disclosed
US-9399032-B2 Methods and compositions for treating degenerative and ischemic disorders THE GENERAL HOSPITAL CORPORATION (US) 2016-07-26 US disclosed
US-5703082-A ANTIHISTAMINE; TRANQUILIZERS U C B S.A. (BE) 1997-12-30 US disclosed
US-5478941-A Useful in treatment of asthma, allergies, inflammation and anxiety; antihistaminic activity U C B, S.A. (BE) 1995-12-26 US disclosed
US-5478941-A Useful in treatment of asthma, allergies, inflammation and anxiety; antihistaminic activity U C B, S.A. (BE) 1995-12-26 US disclosed
US-5478941-A Useful in treatment of asthma, allergies, inflammation and anxiety; antihistaminic activity U C B, S.A. (BE) 1995-12-26 US disclosed
JP-H072816-A ENANTIOMER OF 1-((4-CHLOROPHENYL)PHENYLMETHYLI-4-((4-METHYLPHENYL)SULFONYL)PIPERAZINE AND ITS PREPARATION UCB SA 1995-01-06 JP disclosed
EP-0617028-A1 Enantiomers of 1-(4-chlorophenyl)phenylmethyl)-4-(4-methylphenyl)sulfonyl piperazine U C B, S.A. (BE) 1994-09-28 EP disclosed
EP-0617028-A1 Enantiomers of 1-(4-chlorophenyl)phenylmethyl)-4-(4-methylphenyl)sulfonyl piperazine U C B, S.A. (BE) 1994-09-28 EP 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 (6 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-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine RPLP1, QDPR, RPLP2 CYP3A4 58/4885CYP3A5 27/4885MAOA 1490/4885
US-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 CYP3A4 2752/4885CYP3A5 2835/4885MAOA 1888/4885
US-10322122-B2 Methods and compositions for treating degenerative and ischemic disorders PINK1, PC, PCK2 CYP3A4 2752/4885CYP3A5 2835/4885MAOA 1888/4885
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR CYP3A4 93/4885CYP3A5 38/4885MAOA 1630/4885
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR CYP3A4 93/4885CYP3A5 38/4885MAOA 1630/4885
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders PINK1, PC, PCK2 CYP3A4 2752/4885CYP3A5 2835/4885MAOA 1888/4885

“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.