SCHEMBL15875664

SCHEMBL15875664

CC(C)(C)OC(=O)COCCc1cnn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.32
▸ LATS1 O95835 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL15875623 0.80 — —
SCHEMBL15875530 0.79 CYP4F2 (0.36) HCAR2
Hydrochloric Acid SCHEMBL28678114 0.78 CYP4F2 (0.36) HCAR2KDM4EALDH1A1
SCHEMBL22315715 0.76 HRH3 (0.32) NPSR1POLB
SCHEMBL22316960 0.76 APLNR (0.31) ALDH1A1
SCHEMBL22315716 0.76 APLNR (0.31) ALDH1A1
SCHEMBL28697841 0.73 SCN9A (0.32) LATS1SCN9A
SCHEMBL28701467 0.72 SCN9A (0.35) SCN9ANPSR1KDM4EALDH1A1
SCHEMBL13907508 0.71 APLNR (0.36) LATS1NR1H2SCN9AKDM4EALDH1A1
SCHEMBL31639436 0.70 STK17B (0.36) LATS1SCN9ANPSR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312582-A1 Salts Of Nitrogen-Containing Heterocyclic Compound, And Solid Forms Of Salts, Pharmaceutical Composition And Use Thereof Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-10-05 — — US disclosed
EP-2943494-B1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI (US) 2017-02-22 — — EP disclosed
EP-2943494-B1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI (US) 2017-02-22 — — EP disclosed
EP-2943494-A1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN Eli Lilly and Company (US) 2015-11-18 — — EP disclosed
US-8969555-B2 Bicyclic pyrimidine compounds ELI LILLY AND COMPANY (US) 2015-03-03 — — US disclosed
US-8969555-B2 Bicyclic pyrimidine compounds ELI LILLY AND COMPANY (US) 2015-03-03 — — US disclosed
US-20140200231-A1 Bicyclic Pyrimidine Compounds ELI LILLY AND COMPANY (US) 2014-07-17 — — US disclosed
WO-2014110000-A1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN ELI LILLY AND COMPANY (US) 2014-07-17 — — WO disclosed
WO-2014110000-A1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN ELI LILLY AND COMPANY (US) 2014-07-17 — — 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-20230312582-A1 Salts Of Nitrogen-Containing Heterocyclic Compound, And Solid Forms Of Salts, Pharmaceutical Composition And Use Thereof ATXN10, ATXN2, ATXN2L HCAR2 4017/4885LATS1 4556/4885NR1H2 4629/4885
US-20140200231-A1 Bicyclic Pyrimidine Compounds ENPP2, HAX1, NUDT1 HCAR2 145/4885LATS1 4733/4885NR1H2 1149/4885

“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.

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