SCHEMBL16776338

SCHEMBL16776338

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.44
▸ EPHX2 P34913 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GRIN2B Q13224 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ SOS1 Q07889 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38

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
SCHEMBL16776339 0.92 EPHX2 (0.43) MCHR1EPHX2MAPTSMN1; SMN2MEN1
SCHEMBL16776340 0.92 MCHR1 (0.40) MCHR1MAPTSMN1; SMN2MEN1LMNA
SCHEMBL16776315 0.88 MCHR1 (0.41) MCHR1SMN1; SMN2MEN1KMT2AGRIN2B
SCHEMBL19365423 0.86 MCHR1 (0.44) MCHR1EPHX2MAPTSMN1; SMN2MEN1
SCHEMBL16776322 0.86 NPC1 (0.44) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL16776367 0.85 NPC1 (0.44) MEN1LMNAKMT2ANPC1FYN
SCHEMBL16776304 0.84 MCHR1 (0.46) MCHR1MEN1KMT2AFYNJAK2
SCHEMBL16776329 0.83 FYN (0.42) MAPTSMN1; SMN2LMNAHTTNPC1
SCHEMBL16776364 0.82 CA2 (0.43) SMN1; SMN2LMNANPC1GAAFYN
SCHEMBL16776323 0.81 RAF1 (0.44) SMN1; SMN2MEN1KMT2ANPC1FYN

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 MCHR1 4256/4885EPHX2 4530/4885MAPT 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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