SCHEMBL16809146

SCHEMBL16809146

CNCCCOc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.66
DRD2 P14416 3/20 0.64
DRD4 P21917 3/20 0.64
DRD3 P35462 3/20 0.64
CACNA1B Q00975 2/20 0.59
HTR1D P28221 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL5835871 0.94 HTR1B (0.64) HTR1BDRD2DRD4DRD3CACNA1B
Hydrochloric Acid SCHEMBL21595945 0.92 HTR1B (0.62) HTR1BDRD2DRD4DRD3CACNA1B
SCHEMBL14174988 0.82 DRD2 (0.71) HTR1BDRD2DRD4DRD3HTR1D
SCHEMBL6255082 0.82 HTR1B (0.68) HTR1BDRD2DRD4DRD3HTR1D
SCHEMBL23067925 0.81 DRD4 (0.76) DRD2DRD4DRD3TSHR
SCHEMBL10338308 0.80 MEN1 (0.60) DRD2DRD4DRD3L3MBTL1TSHR
SCHEMBL6849549 0.80 HTR1B (0.66) HTR1BDRD2DRD4DRD3HTR1D
SCHEMBL19022034 0.80 DRD2 (0.59) DRD2DRD4DRD3CACNA1BL3MBTL1
SCHEMBL12939856 0.80 HTR1B (0.66) HTR1BDRD2DRD4DRD3CACNA1B
SCHEMBL19860387 0.80 DRD2 (0.59) DRD2DRD4DRD3CACNA1BL3MBTL1

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
WO-2017106312-A1 METHODS OF MODULATING LEVELS OF IL-6 AND PD-L1 DREXEL UNIVERSITY (US) 2017-06-22 WO disclosed
US-20160361279-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME Philadelphia Health And Education Corporation, d/b/a Drexel University College of Medicine 2016-12-15 US disclosed
US-9388126-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same DREXEL UNIVERSITY (US) 2016-07-12 US disclosed
US-20150166472-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME DREXEL UNIVERSITY 2015-06-18 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 (2 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-20150166472-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME TMEM97, SIGMAR1, ADRM1 HTR1B 454/4885DRD2 1233/4885DRD4 1625/4885
US-20160361279-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME TMEM97, SIGMAR1, ADRM1 HTR1B 491/4885DRD2 1343/4885DRD4 1754/4885

“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.