SCHEMBL16776339

SCHEMBL16776339

CCC(=O)N1CCC(c2cccc(NC(=O)N3CCCNc4ccc(-c5cccc(C(F)(F)F)c5)nc43)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ MCHR1 Q99705 3/20 0.42
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ CCR2 P41597 3/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ CHRM4 P08173 1/20 0.37

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
SCHEMBL16776338 0.92 MCHR1 (0.44) EPHX2MCHR1MAPTMEN1LMNA
SCHEMBL16776340 0.92 MCHR1 (0.40) MCHR1MAPTMEN1LMNAHTT
SCHEMBL16776315 0.86 MCHR1 (0.41) MCHR1MEN1KMT2ASMN1; SMN2GRIN2B
SCHEMBL16776322 0.84 NPC1 (0.44) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL16776402 0.83 NPC1 (0.42) SMN1; SMN2GAACA2CA9NPC1
SCHEMBL16776304 0.82 MCHR1 (0.46) MCHR1MEN1KMT2AJAK2
SCHEMBL16776367 0.82 NPC1 (0.44) MEN1LMNAKMT2ACA2CA9
SCHEMBL16776329 0.81 FYN (0.42) MAPTLMNAHTTSMN1; SMN2GAA
SCHEMBL16776165 0.81 CA2 (0.43) LMNAKMT2ASMN1; SMN2GAAJAK2
SCHEMBL16238434 0.81 EPHX2 (0.43) EPHX2MCHR1MAPTMEN1LMNA

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 2 patents. 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
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 EPHX2 4530/4885MCHR1 4256/4885MAPT 267/4885

“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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