SCHEMBL23051963

SCHEMBL23051963

CCOC(=O)[C@@H](NC(=O)c1cc(-c2cccc(-c3ncc(C(=O)NC(C4CC4)C4CC4)o3)c2)nn1CC(C)(C)O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.34
▸ SLC8A1 P32418 2/20 0.32
▸ POLB P06746 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MME P08473 1/20 0.32
▸ AVPR1B P47901 2/20 0.31
▸ MMEL1 Q495T6 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ PHGDH O43175 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
SCHEMBL23051947 1.00 FAAH (0.34) FAAHSLC8A1POLBSMN1; SMN2HSP90AA1
SCHEMBL28721016 0.94 CNR2 (0.34) POLBHSP90AA1MMECNR1CNR2
SCHEMBL23051965 0.94 CNR2 (0.34) POLBHSP90AA1MMECNR1CNR2
SCHEMBL23041388 0.92 MME (0.36) MMEMMEL1PHGDH
SCHEMBL23041498 0.92 MME (0.36) MMEMMEL1PHGDH
SCHEMBL23041497 0.92 MME (0.36) MMEMMEL1PHGDH
SCHEMBL23041387 0.92 MME (0.36) MMEMMEL1PHGDH
SCHEMBL23052223 0.90 FAAH (0.34) FAAHSLC8A1POLBSMN1; SMN2HSP90AA1
SCHEMBL29452755 0.90 FAAH (0.34) FAAHSLC8A1POLBSMN1; SMN2HSP90AA1
SCHEMBL23051964 0.89 MME (0.34) MMEMMEL1PHGDH

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-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-09-29 — — US claimed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP claimed
US-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-09-29 — — US disclosed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP disclosed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — 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 (1 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-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, TMEM161A, TMEM164 FAAH 3187/4885SLC8A1 430/4885POLB 4320/4885

“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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