SCHEMBL11935532

SCHEMBL11935532

NC1CCC(CNc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.41
▸ LIPC P11150 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CRHR1 P34998 3/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL13439275 1.00 CNR2 (0.41) CNR2LIPCLIPGALDH1A1POLB
SCHEMBL13439153 0.87 ALDH1A1 (0.51) CNR2ALDH1A1POLBHPGDCA12
SCHEMBL11935406 0.87 ALDH1A1 (0.51) CNR2ALDH1A1POLBHPGDCA12
SCHEMBL11935266 0.85 ALDH1A1 (0.47) ALDH1A1POLBHPGDCA12BRD4
SCHEMBL11940765 0.85 ALDH1A1 (0.47) ALDH1A1POLBHPGDCA12BRD4
SCHEMBL13439150 0.84 ALDH1A1 (0.44) CNR2ALDH1A1POLBHPGDBRD4
SCHEMBL11935411 0.84 ALDH1A1 (0.44) CNR2ALDH1A1POLBHPGDBRD4
SCHEMBL17090431 0.82 CNR2 (0.41) CNR2LIPCLIPGALDH1A1POLB
SCHEMBL13565859 0.82 CNR2 (0.41) CNR2LIPCLIPGALDH1A1POLB
SCHEMBL13439172 0.79 LIPC (0.46) CNR2LIPCLIPGCA1CA2

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 3 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-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

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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R CNR2 39/4885LIPC 3403/4885LIPG 3665/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CNR2 67/4885LIPC 508/4885LIPG 1779/4885

“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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