SCHEMBL5652388

SCHEMBL5652388

CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2ccncc2)s1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.50
GFER P55789 1/20 0.45
SLC6A7 Q99884 1/20 0.44
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP3A4 P08684 1/20 0.42
GHSR Q92847 1/20 0.42
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL5652538 0.93 SMO (0.45) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5654349 0.90 SMO (0.53) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5653521 0.88 SLC6A7 (0.47) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5652959 0.88 GSK3B (0.51) SMOGFERSLC6A7CYP2C19CYP2D6
SCHEMBL14366931 0.87 MMP8 (0.52) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5652861 0.85 SMO (0.46) SMOSLC6A7GHSRMMP13
SCHEMBL5652990 0.85 KDM4E (0.44) SMOCYP2C19CYP2D6CYP2C9HTT
SCHEMBL5654070 0.85 GRM5 (0.45) SMOGHSRHTTL3MBTL1MMP13
SCHEMBL14366928 0.85 MAPT (0.42) SMOSLC6A7MMP13
SCHEMBL5653667 0.85 GRM5 (0.46) SMOGFERSLC6A7CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
WO-2007103456-A2 PIPERAZINE AND PIPERIDINE BIARYL DERIVATIVES TRIMERIS, INC. (US) 2007-09-13 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 (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-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 SMO 3378/4885GFER 4186/4885SLC6A7 53/4885

“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.