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Sugi Predict / Compounds / SCHEMBL4365559

SCHEMBL4365559

SCHEMBL4365559

O=C(CN1CCCCC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.94

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.94
▸ KDM4E B2RXH2 1/20 0.70
▸ CACNA1H O95180 9/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ POLB P06746 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PSMB5 P28074 1/20 0.52
▸ EPHX1 P07099 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ DPP4 P27487 1/20 0.50

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
SCHEMBL4218180 0.86 ALDH1A1 (0.76) ALDH1A1KDM4ECACNA1HL3MBTL1PSMB5
SCHEMBL4222713 0.84 ALDH1A1 (0.72) ALDH1A1KDM4ECACNA1HPSMB5EPHX1
SCHEMBL26464310 0.83 CACNA1H (0.92) ALDH1A1KDM4ECACNA1HL3MBTL1POLB
SCHEMBL4216881 0.83 ALDH1A1 (0.70) ALDH1A1KDM4ECACNA1HL3MBTL1POLB
SCHEMBL4226730 0.81 KDM4E (0.72) ALDH1A1KDM4ECACNA1HPSMB5EPHX1
SCHEMBL4223025 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ECACNA1HPSMB5EPHX1
SCHEMBL4218220 0.80 ALDH1A1 (0.67) ALDH1A1KDM4ECACNA1HGAAPSMB5
SCHEMBL26498849 0.80 CACNA1H (1.00) ALDH1A1KDM4ECACNA1HPSMB5EPHX1
SCHEMBL21164703 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ECACNA1HL3MBTL1POLB
SCHEMBL18177916 0.78 ALDH1A1 (0.94) ALDH1A1KDM4EL3MBTL1POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 — — US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 — — US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 — — US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 — — US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 — — US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 — — 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 (4 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 ALDH1A1 1121/4885KDM4E 1755/4885CACNA1H 4149/4885
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES HSD11B1, HSD11B2, HSD17B11 ALDH1A1 50/4885KDM4E 2439/4885CACNA1H 2518/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ALDH1A1 1121/4885KDM4E 1755/4885CACNA1H 4149/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 ALDH1A1 1121/4885KDM4E 1755/4885CACNA1H 4149/4885

“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.