SCHEMBL21222467

SCHEMBL21222467

CC(O)([C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.43
NR1H3 Q13133 6/20 0.43
YTHDC1 Q96MU7 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
KMT2A Q03164 2/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MLYCD O95822 1/20 0.36
CCR5 P51681 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL21222468 1.00 NR1H2 (0.43) NR1H2NR1H3YTHDC1SLC6A2SLC6A4
SCHEMBL384805 0.85 YTHDC1 (0.46) NR1H2NR1H3YTHDC1SLC6A2SLC6A4
SCHEMBL15715169 0.85 YTHDC1 (0.46) NR1H2NR1H3YTHDC1SLC6A2SLC6A4
SCHEMBL17139869 0.85 YTHDC1 (0.46) NR1H2NR1H3YTHDC1SLC6A2SLC6A4
SCHEMBL15689171 0.85 YTHDC1 (0.46) NR1H2NR1H3YTHDC1SLC6A2SLC6A4
SCHEMBL1543571 0.85 YTHDC1 (0.46) NR1H2NR1H3YTHDC1SLC6A2SLC6A4
SCHEMBL384806 0.85 YTHDC1 (0.46) NR1H2NR1H3YTHDC1SLC6A2SLC6A4
SCHEMBL24424078 0.82 YTHDC1 (0.48) NR1H2NR1H3YTHDC1SLC6A2SLC6A4
SCHEMBL1461945 0.81 GRIN2B (0.48) NR1H2NR1H3YTHDC1SLC6A2SLC6A4
SCHEMBL17802192 0.80 YTHDC1 (0.38) NR1H2NR1H3YTHDC1SLC6A2SLC6A4

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
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
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

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 NR1H2 911/4885NR1H3 1370/4885YTHDC1 2832/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 NR1H2 911/4885NR1H3 1370/4885YTHDC1 2832/4885

“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.