SCHEMBL16776341

SCHEMBL16776341

CCC1=CC=NC1c1cccc(NC(=O)N2CCCNc3ccc(-c4cccc(C)c4)nc32)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.34
▸ FAAH O00519 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ RPS6KA3 P51812 2/20 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
SCHEMBL16776318 0.78 AURKA (0.38) ALDH1A1CA9RAB9ARPS6KA2
SCHEMBL16776144 0.77 KMT2A (0.44) CNR1FAAHALDH1A1CA9RAB9A
SCHEMBL16776146 0.76 HTR2C (0.48) ALDH1A1
SCHEMBL16776024 0.76 IMPDH2 (0.46) CNR1ALDH1A1CA9RPS6KA2RPS6KA3
SCHEMBL16776011 0.75 CA9 (0.38) CNR1FAAHALDH1A1CA9RAB9A
SCHEMBL16775915 0.74 NOTUM (0.40) CNR1ALDH1A1CA9RAB9ARPS6KA2
SCHEMBL16776313 0.74 NAMPT (0.40) CNR1FAAHALDH1A1RAB9ANPC1
SCHEMBL16776311 0.74 MAOA (0.39) ALDH1A1CA9RPS6KA2
SCHEMBL16776343 0.73 HSD11B1 (0.36) CNR1FAAHALDH1A1CA9RAB9A
SCHEMBL16776022 0.73 RPS6KA2 (0.41) FAAHCA9RPS6KA2MEN1KMT2A

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 CNR1 2946/4885FAAH 977/4885ALDH1A1 1726/4885

“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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