Sugi Predict

Sugi Predict / Compounds / SCHEMBL6093748

SCHEMBL6093748

SCHEMBL6093748

CCOc1ccc(CC(=O)NCCNc2cc(Nc3c(C)cc(C)cc3C)nc(C)n2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP3A4 P08684 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ QPCT Q16769 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL6093412 0.84 PTGDR (0.46) CYP3A4PKMLMNAMAPTCYP1A2
SCHEMBL6093665 0.72 L3MBTL1 (0.62) L3MBTL1LMNAMEN1CYP1A2CYP2C19
SCHEMBL6094785 0.69 KMT2A (0.39) L3MBTL1CYP3A4ADORA2APKMLMNA
SCHEMBL6095720 0.68 L3MBTL1 (0.45) L3MBTL1PKMLMNAQPCTMEN1
SCHEMBL11638911 0.67 GAA (0.66) L3MBTL1CYP3A4LMNAMEN1CYP2C19
SCHEMBL29463727 0.67 GAA (0.66) L3MBTL1CYP3A4LMNAMEN1CYP2C19
SCHEMBL29463748 0.67 GAA (0.66) L3MBTL1CYP3A4LMNAMEN1CYP2C19
SCHEMBL7791789 0.67 MAPT (0.42) PKMLMNAQPCTMAPTMEN1
SCHEMBL6382633 0.66 CA1 (0.69) L3MBTL1CYP3A4MEN1CYP1A2CYP2C19
SCHEMBL18887599 0.66 TSHR (0.56) L3MBTL1CYP3A4LMNAMAPTCYP1A2

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-7074929-B2 Certain alkylene diamine-substituted heterocycles NEUROGEN CORP. (US) 2006-07-11 — — US disclosed
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2004-11-18 — — US disclosed
US-6696445-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS COMPRISING HETEROCYCLIC NITROGEN COMPOUNDS AND/OR PRODRUGS USED FOR PROPHYLAXIS OF EATING AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2004-02-24 — — US disclosed
US-20030158197-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2003-08-21 — — US disclosed
US-6506762-B1 Mono-, bi-, or tricyclic heterocycles may be modified to obtain potent antagonists at the NPY1 receptor. methods for the treatment of physiological disorders associated with an excess of neuropeptide Y. Novel compounds are for eating NEUROGEN CORPORATION 2003-01-14 — — 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-20030158197-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R L3MBTL1 3052/4885CYP3A4 4068/4885ADORA2A 2078/4885
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R L3MBTL1 2996/4885CYP3A4 4019/4885ADORA2A 2115/4885

“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.