SCHEMBL6597019

SCHEMBL6597019

COc1cccc(C2(c3ccc(OS(=O)(=O)C(F)(F)F)cc3)CCCN(Cc3ccccc3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.45
CYP2D6 P10635 3/20 0.44
CYP3A4 P08684 2/20 0.44
SLC6A9 P48067 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR3C1 P04150 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7186422 0.91 L3MBTL1 (0.42) CYP2D6CYP3A4SLC6A9ALDH1A1DRD2
SCHEMBL7830977 0.91 SIGMAR1 (0.46) SIGMAR1CYP2D6CYP3A4TMEM97ALDH1A1
SCHEMBL6168151 0.90 SIGMAR1 (0.50) SIGMAR1CYP2D6ALDH1A1TSHRCHRM2
SCHEMBL6598530 0.86 OPRM1 (0.52) SLC6A9DRD2DRD1DRD4DRD5
SCHEMBL6598136 0.83 SIGMAR1 (0.51) SIGMAR1CYP2D6CYP3A4TMEM97ALDH1A1
SCHEMBL6599122 0.83 OPRD1 (0.60)
SCHEMBL6599092 0.81 LMNA (0.55) SIGMAR1CYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL6599402 0.81 SLC6A9 (0.48) CYP2D6CYP3A4SLC6A9ALDH1A1CYP1A2
SCHEMBL4272060 0.81 SIGMAR1 (0.60) SIGMAR1CYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL6599265 0.78 OPRD1 (0.59) CYP2D6CYP3A4ALDH1A1CYP1A2HPGD

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
EP-1140835-B1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PROD INC (US) 2004-05-12 EP disclosed
US-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives PFIZER INC 2004-04-01 US disclosed
US-6586431-B1 Treating drug abuse and drug dependence; nervous system and gastrointestinal disorders PFIZER INC 2003-07-01 US disclosed
US-6503905-B1 Treating nervous system and gastrointestinal disorders; analgesics, antiasthmatics PFIZER INC 2003-01-07 US disclosed
EP-1140835-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES Pfizer Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039091-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-07-06 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-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives BCHE, HTR3C, CHRM2 SIGMAR1 221/4885CYP2D6 19/4885CYP3A4 103/4885

“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.