SCHEMBL16785559

SCHEMBL16785559

CC[C@@H]1CNc2ccc(-c3cccc(Cl)c3)nc2N(C(=O)Nc2ccncn2)[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.39
▸ FAAH O00519 7/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ GRM5 P41594 4/20 0.36
▸ TSHR P16473 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32
▸ PTGER4 P35408 1/20 0.32

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
SCHEMBL16776377 0.90 MPL (0.41) MPLFAAHCNR2GRM5KMO
SCHEMBL19699054 0.85 MPL (0.39) MPLFAAHCNR2GRM5KMO
SCHEMBL16785659 0.83 DYRK1A (0.37) GRM5
SCHEMBL16776376 0.79 POLB (0.41) FAAHCNR2GRM5TSHRKMO
SCHEMBL19670357 0.77 MPL (0.41) MPLFAAHCNR2GRM5USP30
SCHEMBL16775913 0.76 MPL (0.42) MPLFAAHCNR2GRM5KMO
SCHEMBL17618739 0.76 GRM5 (0.42) MPLFAAHCNR2GRM5ALDH1A1
SCHEMBL19670657 0.74 MPL (0.42) MPLFAAHCNR2GRM5KMO
SCHEMBL16776379 0.74 WNT1 (0.39) CNR2GRM5
SCHEMBL16775980 0.73 GRM5 (0.39) GRM5USP30

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MPL 3547/4885FAAH 977/4885CNR2 2514/4885

“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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