SCHEMBL16776332

SCHEMBL16776332

O=C(Nc1cccc(CN2CCOCC2)c1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.51
▸ FAAH O00519 3/20 0.46
▸ THRB P10828 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ RHOA P61586 1/20 0.44
▸ TRPV4 Q9HBA0 3/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL16776322 0.88 NPC1 (0.44) KMT2AMEN1MAPTLMNABRAF
SCHEMBL16776432 0.86 CA2 (0.40) FAAHKMT2AMEN1
SCHEMBL16776329 0.84 FYN (0.42) FAAHMAPTLMNABRAF
SCHEMBL16776319 0.84 LMNA (0.45) CNR2TRPV4EPHX2KMT2ALMNA
SCHEMBL16785648 0.84 EPHB4 (0.44) FAAHKMT2AMEN1DCUN1D1
SCHEMBL16776367 0.83 NPC1 (0.44) RHOAKMT2AMEN1LMNABRAF
SCHEMBL16776345 0.82 NPY5R (0.42) KMT2AMEN1BRAF
SCHEMBL16776165 0.82 CA2 (0.43) FAAHKMT2AALDH1A1LMNA
SCHEMBL16776321 0.82 FYN (0.44) KMT2AMEN1LMNABRAF
SCHEMBL16776363 0.82 CYP1A2 (0.49) CNR1TRPV4KMT2AMEN1ALDH1A1

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 CNR2 2514/4885FAAH 977/4885THRB 2054/4885

“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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