SCHEMBL20064022

SCHEMBL20064022

NC1CN(c2ccc(F)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.47
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
DHFR P00374 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
HRH3 Q9Y5N1 3/20 0.39
SLC6A9 P48067 5/20 0.39
HRH4 Q9H3N8 2/20 0.39
HTR1A P08908 2/20 0.39
DRD4 P21917 2/20 0.39
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
CHIA Q9BZP6 1/20 0.36
DYRK1A Q13627 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL23830527 0.86 GPR119 (0.47) GRM1DHFRGPR119HRH3SLC6A9
SCHEMBL14018468 0.82 GPR119 (0.52) DHFRGPR119HRH3SLC6A9CHIA
SCHEMBL26048823 0.81 GRM1 (0.47) GRM1HCRTR1HCRTR2DHFRGPR119
Hydrochloric Acid SCHEMBL1998896 0.81 GPR119 (0.51) DHFRGPR119HRH3SLC6A9CHIA
SCHEMBL20124848 0.79 GRIN2D (0.49) HRH3HRH4
SCHEMBL20157231 0.79 CHRNB4 (0.49) GRM1HCRTR1HCRTR2
SCHEMBL18086472 0.78 GRIN2D (0.47) DHFRGPR119HRH3HRH4HTR1A
SCHEMBL23046561 0.77 GRM1 (0.44) GRM1HCRTR1HCRTR2DHFRGPR119
SCHEMBL20004006 0.77 KMT2A (0.51) GRM1HCRTR1HCRTR2GPR119CHIA
SCHEMBL23019809 0.77 KMT2A (0.51) GRM1HCRTR1HCRTR2GPR119CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
EP-3526206-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-21 EP disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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 (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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 GRM1 1474/4885HCRTR1 2092/4885HCRTR2 2437/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 GRM1 1474/4885HCRTR1 2092/4885HCRTR2 2437/4885

“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.