SCHEMBL13462997

SCHEMBL13462997

CC1C[C@H](CNc2ccc3oc(=O)ccc3c2)CCC1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 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
SCHEMBL13439148 1.00 ACHE (0.44) ACHEALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL11935403 1.00 ACHE (0.44) ACHEALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL17145928 0.83 ACHE (0.49) ACHEALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL11935278 0.83 ACHE (0.49) ACHEALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL17090534 0.79 ALDH1A1 (0.41) ACHEALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL13566017 0.79 ALDH1A1 (0.41) ACHEALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL11940065 0.73 ACHE (0.42) ACHEALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL13438956 0.73 ACHE (0.42) ACHEALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL13565122 0.73 MEN1 (0.43) ACHEALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL17090116 0.73 ALDH1A1 (0.45) ACHEALDH1A1KDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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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