SCHEMBL9980697

SCHEMBL9980697

FCCOc1cccnc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.55
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
HTT P42858 2/20 0.37
SLC18A3 Q16572 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL91148 0.85 S1PR4 (0.55) S1PR4LMNASMN1; SMN2RAB9ANPC1
SCHEMBL31651666 0.84 S1PR4 (0.50) S1PR4LMNASMN1; SMN2RAB9ANPC1
SCHEMBL2842190 0.83 S1PR4 (0.54) S1PR4LMNASMN1; SMN2RAB9ANPC1
SCHEMBL4155091 0.81 S1PR4 (0.55) S1PR4LMNASMN1; SMN2RAB9ANPC1
SCHEMBL4158695 0.79 S1PR4 (0.54) S1PR4LMNASMN1; SMN2RAB9ANPC1
SCHEMBL31362449 0.79 S1PR4 (0.58) S1PR4LMNASMN1; SMN2RAB9ANPC1
SCHEMBL25100353 0.79 S1PR4 (0.54) S1PR4LMNASMN1; SMN2RAB9ANPC1
SCHEMBL19687644 0.79 S1PR4 (0.54) S1PR4LMNASMN1; SMN2RAB9ANPC1
SCHEMBL12031808 0.77 CHRNB2 (0.46) LMNASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1758844 0.77 RAB9A (0.37) S1PR4LMNASMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 US 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-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 S1PR4 307/4885LMNA 4446/4885SMN1; SMN2 2942/4885

“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.