SCHEMBL16776377

SCHEMBL16776377

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.41
▸ CNR2 P34972 2/20 0.39
▸ GRM5 P41594 5/20 0.38
▸ FAAH O00519 6/20 0.37
▸ KMO O15229 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ STK4 Q13043 1/20 0.33
▸ STK3 Q13188 1/20 0.33
▸ LRRK2 Q5S007 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
SCHEMBL16785559 0.90 MPL (0.39) MPLCNR2GRM5FAAHKMO
SCHEMBL16776376 0.88 POLB (0.41) CNR2GRM5FAAHKMOALDH1A1
SCHEMBL19699054 0.83 MPL (0.39) MPLCNR2GRM5FAAHKMO
SCHEMBL16776379 0.82 WNT1 (0.39) CNR2GRM5
SCHEMBL16776393 0.81 AR (0.34) MPLFAAH
SCHEMBL16775913 0.79 MPL (0.42) MPLCNR2GRM5FAAHKMO
SCHEMBL17618739 0.78 GRM5 (0.42) MPLCNR2GRM5FAAHALDH1A1
SCHEMBL16776307 0.78 CNR2 (0.36) CNR2FAAHKMO
SCHEMBL19670657 0.76 MPL (0.42) MPLCNR2GRM5FAAHKMO
SCHEMBL19670357 0.76 MPL (0.41) MPLCNR2GRM5FAAHUSP30

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 3547/4885CNR2 2514/4885GRM5 3471/4885

“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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