SCHEMBL18186418

SCHEMBL18186418

CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)C[C@@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.48
▸ NR1H3 Q13133 12/20 0.48
▸ HDAC1 Q13547 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ TRPC6 Q9Y210 1/20 0.41

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
SCHEMBL18186416 1.00 NR1H2 (0.48) NR1H2NR1H3HDAC1GPR119ALDH1A1
SCHEMBL16824975 1.00 NR1H2 (0.48) NR1H2NR1H3HDAC1GPR119ALDH1A1
SCHEMBL16569865 0.91 NR1H2 (0.48) NR1H2NR1H3HDAC1GPR119ALDH1A1
SCHEMBL28956370 0.89 NR1H2 (0.49) NR1H2NR1H3GPR119ALDH1A1LMNA
SCHEMBL18186231 0.88 NR1H2 (0.47) NR1H2NR1H3HDAC1GPR119ALDH1A1
SCHEMBL16824946 0.88 NR1H2 (0.47) NR1H2NR1H3HDAC1GPR119ALDH1A1
SCHEMBL18186339 0.88 NR1H2 (0.47) NR1H2NR1H3HDAC1GPR119ALDH1A1
SCHEMBL29104051 0.88 NR1H2 (0.51) NR1H2NR1H3GPR119ALDH1A1LMNA
SCHEMBL21935456 0.88 NR1H2 (0.48) NR1H2NR1H3HDAC1GPR119ALDH1A1
SCHEMBL29104020 0.88 NR1H2 (0.51) NR1H2NR1H3GPR119ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
EP-4126824-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE Theravance Biopharma R&D IP, LLC (US) 2023-02-08 — — EP disclosed
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — WO disclosed
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 — — US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 — — EP disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 — — 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 (4 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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 NR1H2 2739/4885NR1H3 2661/4885HDAC1 4174/4885
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 NR1H2 4618/4885NR1H3 4524/4885HDAC1 942/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 NR1H2 2739/4885NR1H3 2661/4885HDAC1 4174/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 NR1H2 2739/4885NR1H3 2661/4885HDAC1 4174/4885

“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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