SCHEMBL29774910

SCHEMBL29774910

CCC(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Br)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.52
▸ CTSK P43235 9/20 0.46
▸ CTSS P25774 8/20 0.46
▸ AAK1 Q2M2I8 2/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ CTSB P07858 3/20 0.43
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL15207833 0.84 CFD (0.48) SCN9ACHRNB2CHRNA4
SCHEMBL29356805 0.84 CFD (0.48) SCN9ACHRNB2CHRNA4
SCHEMBL19236868 0.84 CFD (0.48) SCN9ACHRNB2CHRNA4
SCHEMBL18556006 0.83 GRM5 (0.46) CHRNB2CHRNA4
SCHEMBL29357218 0.82 CFD (0.49) SCN9ACTSKCTSSCTSB
SCHEMBL29354026 0.82 CFD (0.49) SCN9ACTSKCTSSCTSB
SCHEMBL19236666 0.82 CFD (0.49) SCN9ACTSKCTSSCTSB
SCHEMBL19236683 0.82 CFD (0.49) SCN9ACTSKCTSSCTSB
SCHEMBL20971601 0.82 CFD (0.49) SCN9ACTSKCTSSCTSB
SCHEMBL29497169 0.81 GRM5 (0.48) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338230-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2025-06-24 — — US disclosed
US-20240199583-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2024-06-20 — — US disclosed
US-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-03-12 — — US disclosed
US-20220315562-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-10-06 — — US disclosed
US-11407738-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-08-09 — — 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 (5 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-12338230-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH SCN9A 1888/4885CTSK 481/4885CTSS 488/4885
US-20220315562-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH SCN9A 1888/4885CTSK 481/4885CTSS 488/4885
US-11407738-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH SCN9A 1888/4885CTSK 481/4885CTSS 488/4885
US-20240199583-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH SCN9A 1888/4885CTSK 481/4885CTSS 488/4885
US-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH SCN9A 1888/4885CTSK 481/4885CTSS 488/4885

“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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