SCHEMBL15415643

SCHEMBL15415643

OC1(c2ccc(Br)cn2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PDE10A Q9Y233 1/20 0.40
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PLAU P00749 1/20 0.33
FDPS P14324 1/20 0.32
MGLL Q99685 1/20 0.32
OGA O60502 1/20 0.32
ALOX5AP P20292 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2147869 0.84 ALDH1A1 (0.37) TSHRPDE10AALDH1A1KDM4ELMNA
SCHEMBL4484310 0.84 ALDH1A1 (0.37) TSHRPDE10AALDH1A1KDM4ELMNA
SCHEMBL15612499 0.82 TSHR (0.36) TSHRPDE10AAKR1C3ALDH1A1KDM4E
SCHEMBL19127686 0.82 ABL1 (0.38) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL745011 0.82 SMN1; SMN2 (0.35) TSHRPDE10AAKR1C3ALDH1A1KDM4E
SCHEMBL16554332 0.81 TSHR (0.35) TSHRPDE10AAKR1C3ALDH1A1KDM4E
SCHEMBL15180467 0.80 IRAK4 (0.41) TSHRPDE10AAKR1C3
SCHEMBL881575 0.79 TSHR (0.38) TSHRAKR1C3ALDH1A1KDM4ELMNA
SCHEMBL15168507 0.78 ALDH1A1 (0.34) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL2483006 0.78 ALDH1A1 (0.37) TSHRALDH1A1KDM4ELMNAHTT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080113-B1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-18 EP disclosed
EP-3080115-B1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-05-08 EP disclosed
US-10087179-B2 Fused tricyclic imidazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-10-02 US disclosed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP disclosed
US-9868749-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-16 US disclosed
US-9550784-B2 Inhibitors of phosphodiesterase 10 enzyme Beerse Pharmaceutica NV (BE) 2017-01-24 US disclosed
US-9550784-B2 Inhibitors of phosphodiesterase 10 enzyme Beerse Pharmaceutica NV (BE) 2017-01-24 US disclosed
US-20160376268-A1 Fused Tricyclic Imidazole Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-12-29 US disclosed
EP-3080115-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
EP-3080113-A1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
US-9309243-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2016-04-12 US disclosed
US-20150203498-A1 INHIBITORS OF PHOSPHODIESTERASE 10 ENZYME JANSSEN PHARMACEUTICA NV (BE) 2015-07-23 US disclosed
US-20150203498-A1 INHIBITORS OF PHOSPHODIESTERASE 10 ENZYME JANSSEN PHARMACEUTICA NV (BE) 2015-07-23 US disclosed
US-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity UCB Biopharma SPRL a corporation 2015-07-23 US disclosed
WO-2015086526-A1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086506-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2015034729-A1 SUBSTITUTED PYRIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-12 WO disclosed
WO-2014009305-A1 INHIBITORS OF PHOSPHODIESTERASE 10 ENZYME JANSSEN PHARMACEUTICA NV (BE) 2014-01-16 WO disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 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 (4 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-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, IL1A TSHR 660/4885PDE10A 1181/4885AKR1C3 2174/4885
US-20150203498-A1 INHIBITORS OF PHOSPHODIESTERASE 10 ENZYME PDE12, PDE5A, PDE2A TSHR 2600/4885PDE10A 5/4885AKR1C3 1254/4885
US-20160376268-A1 Fused Tricyclic Imidazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA TSHR 849/4885PDE10A 1948/4885AKR1C3 2189/4885
US-10087179-B2 Fused tricyclic imidazole derivatives as modulators of TNF activity TNF, TNFRSF1A, NFKBIA TSHR 849/4885PDE10A 1948/4885AKR1C3 2189/4885

“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.