SCHEMBL11935458

SCHEMBL11935458

Cc1c(NCC2CCC(N)CC2)ccc(C(F)(F)F)c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIPC P11150 1/20 0.44
▸ LIPG Q9Y5X9 1/20 0.44
▸ PTGER4 P35408 3/20 0.40
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ F2 P00734 2/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ CNR2 P34972 7/20 0.34
▸ SCD O00767 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ PRKCQ Q04759 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ IDH2 P48735 1/20 0.33

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
SCHEMBL13439187 1.00 LIPC (0.44) LIPCLIPGPTGER4PDE3BPDE3A
SCHEMBL13462615 1.00 LIPC (0.44) LIPCLIPGPTGER4PDE3BPDE3A
SCHEMBL13438922 0.78 SCD (0.45) LIPCLIPGPDE3BPDE3ACNR2
SCHEMBL11935380 0.78 SCD (0.45) LIPCLIPGPDE3BPDE3ACNR2
SCHEMBL13564891 0.77 LIPC (0.40) LIPCLIPGPDE3BPDE3ACNR2
SCHEMBL17090257 0.77 LIPC (0.40) LIPCLIPGPDE3BPDE3ACNR2
SCHEMBL13439188 0.77 CNR2 (0.45) CNR2CNR1
SCHEMBL11935457 0.77 CNR2 (0.45) CNR2CNR1
SCHEMBL11935529 0.76 PRKCQ (0.46) PRKCQTLR7
SCHEMBL13439273 0.76 PRKCQ (0.46) PRKCQTLR7

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 LIPC 3403/4885LIPG 3665/4885PTGER4 935/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R LIPC 508/4885LIPG 1779/4885PTGER4 1778/4885

“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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