SCHEMBL29818912

SCHEMBL29818912

CN(C)C(=O)CCCOc1cccc(OCCN)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ P2RY12 Q9H244 1/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ KCNH2 Q12809 2/20 0.45
▸ MTNR1A P48039 2/20 0.45
▸ MTNR1B P49286 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CACNA1B Q00975 2/20 0.44

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
SCHEMBL2205020 1.00 PDK2 (0.49) PDK2KDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL611282 0.87 CYP2D6 (0.55) CYP2D6KCNH2
SCHEMBL4568926 0.87 KMT2A (0.55) PDK2KDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL2207909 0.85 CYP2D6 (0.56) CYP2D6KCNH2NPC1LMNAALOX15
SCHEMBL29818840 0.85 CYP2D6 (0.56) CYP2D6KCNH2NPC1LMNAALOX15
SCHEMBL25822296 0.85 CYP2D6 (0.49) PDK2KDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL13959280 0.85 ACHE (0.56) CYP2D6KCNH2
SCHEMBL19485437 0.84 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2CYP2D6NPC1LMNA
SCHEMBL25820408 0.83 KDM4E (0.58) PDK2KDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL29818781 0.83 TAAR1 (0.50) PDK2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 — — US disclosed
US-11446261-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2022-09-20 — — 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 (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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER PDK2 496/4885KDM4E 2349/4885ALDH1A1 140/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER PDK2 496/4885KDM4E 2349/4885ALDH1A1 140/4885

“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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