SCHEMBL11935278

SCHEMBL11935278

NC1CCC(CNc2ccc3oc(=O)ccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA3 P07451 2/20 0.44
▸ CA4 P22748 2/20 0.44
▸ CA6 P23280 2/20 0.44
▸ CA5A P35218 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA5B Q9Y2D0 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ IDH1 O75874 1/20 0.42

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
SCHEMBL17145928 1.00 ACHE (0.49) ACHEALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL13439148 0.83 ACHE (0.44) ACHEALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL11935403 0.83 ACHE (0.44) ACHEALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL13462997 0.83 ACHE (0.44) ACHEALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL13439072 0.81 DYRK1A (0.37) —
SCHEMBL11935362 0.81 DYRK1A (0.37) —
SCHEMBL11940065 0.79 ACHE (0.42) ACHEALDH1A1KDM4ESMN1; SMN2CA9
SCHEMBL13438956 0.79 ACHE (0.42) ACHEALDH1A1KDM4ESMN1; SMN2CA9
SCHEMBL13565810 0.78 MEN1 (0.43) ACHEALDH1A1KDM4ESMN1; SMN2DRD4
SCHEMBL17090116 0.78 ALDH1A1 (0.45) ACHEALDH1A1KDM4ESMN1; SMN2CA12

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 — — US disclosed
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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 — — 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 (3 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-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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