SCHEMBL16776262

SCHEMBL16776262

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)C2CCN3CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.39
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ CA9 Q16790 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35

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
SCHEMBL20631665 0.90 SLC9A1 (0.35) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16776289 0.90 FAAH (0.35) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17618739 0.90 GRM5 (0.42) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16776256 0.90 GRM5 (0.40) FAAHCA9KMOGRM5EGFR
SCHEMBL16776266 0.88 GAA (0.42) FAAHCA9KMOMEN1KMT2A
SCHEMBL16775973 0.87 MPL (0.44) FAAHCA9KMOMEN1KMT2A
SCHEMBL17618430 0.85 MPL (0.41) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19699042 0.85 FAAH (0.38) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20633332 0.85 SLC9A1 (0.35) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19703382 0.85 MPL (0.41) FAAHCHRNB2CHRNB4CHRNA3CHRNA4

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 FAAH 977/4885CHRNB2 4210/4885CHRNB4 4376/4885

“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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