SCHEMBL11940065

SCHEMBL11940065

CC(C)(C)SNC1CCC(CNc2ccc3oc(=O)ccc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.42
▸ ALDH1A1 P00352 7/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ IDH1 O75874 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PKM P14618 1/20 0.36

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
SCHEMBL13438956 1.00 ACHE (0.42) ACHEALDH1A1KDM4ESMN1; SMN2IDH1
SCHEMBL11940063 0.82 MAOB (0.44) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL13438961 0.82 MAOB (0.44) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL13565810 0.82 MEN1 (0.43) ACHEALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL13565122 0.82 MEN1 (0.43) ACHEALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL17145928 0.79 ACHE (0.49) ACHEALDH1A1KDM4ESMN1; SMN2IDH1
SCHEMBL11935278 0.79 ACHE (0.49) ACHEALDH1A1KDM4ESMN1; SMN2IDH1
SCHEMBL17090116 0.77 ALDH1A1 (0.45) ACHEALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL13438992 0.76 JAK2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL11941000 0.76 JAK2 (0.39) ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 — — US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 — — 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R ACHE 1699/4885ALDH1A1 3842/4885KDM4E 1765/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ACHE 2624/4885ALDH1A1 3735/4885KDM4E 1429/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ACHE 1393/4885ALDH1A1 4013/4885KDM4E 2311/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ACHE 2490/4885ALDH1A1 3361/4885KDM4E 1334/4885

“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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