SCHEMBL20064051

SCHEMBL20064051

N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](Oc3cccc4scnc34)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
PRMT5 O14744 1/20 0.33
SMYD3 Q9H7B4 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MALT1 Q9UDY8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
SLC8A1 P32418 1/20 0.30

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
Hydrochloric Acid SCHEMBL21222477 0.99 TRPV1 (0.36) TRPV1PRMT5SMYD3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL21222474 0.99 TRPV1 (0.36) TRPV1PRMT5SMYD3MTNR1AMTNR1B
SCHEMBL21222371 0.87 ALDH1A1 (0.38) ALDH1A1HPGD
SCHEMBL21227849 0.87 PRMT5 (0.35) TRPV1PRMT5MTNR1AMTNR1BMALT1
SCHEMBL20064616 0.87 ALDH1A1 (0.38) ALDH1A1HPGD
Hydrochloric Acid SCHEMBL21222334 0.86 PRMT5 (0.35) TRPV1PRMT5MTNR1AMTNR1BMALT1
Hydrochloric Acid SCHEMBL21222332 0.86 PRMT5 (0.35) TRPV1PRMT5MTNR1AMTNR1BMALT1
SCHEMBL21222403 0.86 TRPV1 (0.33) TRPV1PRMT5MALT1
SCHEMBL21222404 0.86 TRPV1 (0.33) TRPV1PRMT5MALT1
SCHEMBL21222525 0.85 EPHX2 (0.38) TRPV1ALDH1A1

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 3 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-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 TRPV1 3025/4885PRMT5 2187/4885SMYD3 2334/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 TRPV1 3025/4885PRMT5 2187/4885SMYD3 2334/4885

“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.