SCHEMBL23041664

SCHEMBL23041664

C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)n(CC(C)(C)O)n1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 14/20 0.39
▸ RIPK1 Q13546 1/20 0.37
▸ SMPD1 P17405 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL23041665 1.00 APLNR (0.39) APLNRRIPK1SMPD1FAAHMDM2
SCHEMBL23041672 0.85 ALPL (0.41) RIPK1
SCHEMBL23041670 0.85 ALPL (0.41) RIPK1
SCHEMBL23042216 0.72 CDK2 (0.40) RIPK1
SCHEMBL23042217 0.72 CDK2 (0.40) RIPK1
SCHEMBL23041442 0.70 PHGDH (0.35) RIPK1
SCHEMBL23041445 0.70 PHGDH (0.35) RIPK1
SCHEMBL28722010 0.68 HDAC3 (0.39) RIPK1MDM2
SCHEMBL28722012 0.68 HDAC3 (0.39) RIPK1MDM2
SCHEMBL29452602 0.68 HDAC3 (0.39) RIPK1MDM2

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 4 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 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 APLNR 1220/4885RIPK1 4613/4885SMPD1 963/4885

“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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