SCHEMBL29841132

SCHEMBL29841132

CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(-c3cnc4cc(C)nn4c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 10/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ PLA2G4A P47712 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL18591126 1.00 CFD (0.55) CFDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18578302 0.92 CFD (0.53) CFDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL29774824 0.92 CFD (0.53) CFDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18591170 0.92 CFD (0.48) CFDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18555130 0.87 CFD (0.60) CFDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL20992127 0.86 CFD (0.42) CFDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL25235647 0.86 CFD (0.43) CFDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL20330237 0.85 CFD (0.42) CFDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL25282966 0.85 CFD (0.44) CFDSMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL18591304 0.84 NPC1 (0.43) CFDSMN1; SMN2NPC1RAB9ALMNA

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-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 — — US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 — — US disclosed
EP-3340981-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-10-12 — — EP disclosed
EP-4053117-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-09-07 — — EP 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-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 CFD 1/4885SMN1; SMN2 2201/4885NPC1 1081/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CFD 1/4885SMN1; SMN2 2468/4885NPC1 974/4885

“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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