SCHEMBL6712441

SCHEMBL6712441

CC(C)(C)OC(=O)C(Oc1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ F10 P00742 7/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTBP1 P26599 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
SCHEMBL6107083 0.86 F10 (0.47) NPC1RAB9ASMN1; SMN2ALOX15HTT
SCHEMBL7360771 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALOX15HTT
Hydrochloric Acid SCHEMBL7359884 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALOX15HTT
SCHEMBL5724627 0.81 F10 (0.41) NPC1RAB9ARXFP1F10KDM4E
SCHEMBL5200573 0.80 F10 (0.42) F10
SCHEMBL5724434 0.79 F10 (0.37) NPC1RAB9ASMN1; SMN2ALOX15HTT
SCHEMBL7359372 0.78 F10 (0.49) F10
SCHEMBL4270026 0.77 F10 (0.40) NPC1RAB9ARXFP1F10KDM4E
SCHEMBL7356466 0.77 F10 (0.47) NPC1RAB9ASMN1; SMN2TDP1F10
SCHEMBL6107404 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALOX15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 — — US disclosed
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — 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-20040029874-A1 Aromatic amides F11, F12, F5 NPC1 1659/4885RAB9A 2097/4885SMN1; SMN2 3975/4885

“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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