SCHEMBL16776302

SCHEMBL16776302

O=C(NCc1ccccc1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.41
▸ KMO O15229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ VCP P55072 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ EPHB4 P54760 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ LMNA P02545 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
SCHEMBL16776316 0.92 CA12 (0.42) POLBCNR2KMOALDH1A1FAAH
SCHEMBL16776305 0.90 ASAH1 (0.41) CNR2KMOFAAHACP1
SCHEMBL16776303 0.89 ASAH1 (0.44) CNR2KMOFAAHACP1
SCHEMBL16776320 0.85 KMT2A (0.43) POLBEPHB4KDM4E
SCHEMBL16776329 0.84 FYN (0.42) POLBKMOSMN1; SMN2NPC1FAAH
SCHEMBL16776337 0.84 EPHB4 (0.39) KMOEPHB4
SCHEMBL16776325 0.84 CHRM4 (0.40) KMOALDH1A1LMNAKDM4E
SCHEMBL16776370 0.84 EPHX1 (0.40) POLBEPHB4KDM4E
SCHEMBL16776322 0.84 NPC1 (0.44) SMN1; SMN2NPC1LMNA
SCHEMBL16776455 0.83 NAMPT (0.43) POLBSMN1; SMN2ALDH1A1FAAHLMNA

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 POLB 961/4885CNR2 2514/4885TRPV4 4133/4885

“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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