SCHEMBL6490508

SCHEMBL6490508

Cc1ccc(S(=O)(=O)N2CCN(C(CCl)c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.59
GAA P10253 4/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.52
MAOA P21397 1/20 0.52
STAT1 P42224 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL6491049 0.87 PKM (0.62) PKMGAALMNAALDH1A1KDM4E
SCHEMBL6480929 0.87 PKM (0.62) PKMGAALMNAALDH1A1KDM4E
SCHEMBL6479618 0.81 PKM (0.56) PKMGAALMNAALDH1A1KDM4E
SCHEMBL6478373 0.79 PKM (0.51) PKMGAALMNAALDH1A1KDM4E
SCHEMBL11628895 0.79 GAA (0.86) PKMGAALMNAALDH1A1POLB
SCHEMBL587788 0.79 CYP3A4 (0.68) PKMGAALMNAALDH1A1MAOA
SCHEMBL7098287 0.76 MAOA (0.60) PKMGAALMNAALDH1A1KDM4E
SCHEMBL4537086 0.75 PKM (0.88) PKMGAALMNAALDH1A1POLB
SCHEMBL565301 0.75 PKM (0.88) PKMGAALMNAALDH1A1POLB
SCHEMBL8203532 0.75 PKM (0.88) PKMGAALMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916797-B2 α-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2005-07-12 US disclosed
US-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2003-11-27 US disclosed
EP-1242399-A1 $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB S.A. (BE) 2002-09-25 EP disclosed
WO-2001046167-A1 α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB, S.A. (BE) 2001-06-28 WO disclosed
EP-1110958-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2001-06-27 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 (1 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-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists TACR1, TACR2, NPSR1 PKM 928/4885GAA 1533/4885LMNA 2957/4885

“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.