SCHEMBL20065092

SCHEMBL20065092

O=C(NC1CN(c2ncccn2)C1)[C@H]1C[C@H](Oc2cccc3scnc23)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.36
KDM4E B2RXH2 5/20 0.34
TRPV1 Q8NER1 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRMT5 O14744 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21221931 1.00 ACKR3 (0.36) ACKR3KDM4ETRPV1MEN1KMT2A
SCHEMBL21222103 0.91 CHRM4 (0.35) ACKR3TRPV1HPGDALDH1A1MAPT
SCHEMBL21221904 0.91 ACACB (0.36) ACKR3TRPV1MALT1
SCHEMBL21222101 0.91 CHRM4 (0.35) ACKR3TRPV1HPGDALDH1A1MAPT
SCHEMBL21221906 0.91 ACACB (0.36) ACKR3TRPV1MALT1
SCHEMBL21222327 0.91 USP30 (0.38) ACKR3KDM4ETSHRMALT1HPGD
SCHEMBL21222330 0.91 USP30 (0.38) ACKR3KDM4ETSHRMALT1HPGD
SCHEMBL21222212 0.90 MALT1 (0.35) ACKR3KDM4ETRPV1MALT1HPGD
SCHEMBL21222210 0.90 MALT1 (0.35) ACKR3KDM4ETRPV1MALT1HPGD
SCHEMBL21222089 0.90 PDE10A (0.34) ACKR3KDM4ETRPV1MALT1HPGD

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
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 claimed
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
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 ACKR3 450/4885KDM4E 2350/4885TRPV1 3025/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 ACKR3 450/4885KDM4E 2350/4885TRPV1 3025/4885

“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.