SCHEMBL19865068

SCHEMBL19865068

O=C(Nc1cccc(CN2CCNCC2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC1CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 2/20 0.46
▸ FAAH O00519 2/20 0.44
▸ UBE2M P61081 7/20 0.42
▸ DCUN1D1 Q96GG9 7/20 0.42
▸ ACKR3 P25106 3/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ CNR1 P21554 1/20 0.39

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
SCHEMBL16249963 0.96 CHRM3 (0.45) CHRM3FAAHUBE2MDCUN1D1ACKR3
Trifluoroacetic Acid SCHEMBL16238254 0.93 FAAH (0.43) CHRM3FAAHUBE2MDCUN1D1ACKR3
SCHEMBL17618795 0.87 CNR2 (0.49) FAAHUBE2MDCUN1D1ACKR3CNR2
SCHEMBL19699081 0.85 IDH2 (0.46) FAAHMEN1MAPTKMT2A
SCHEMBL17618875 0.83 KMT2A (0.41) FAAHUBE2MDCUN1D1MEN1MAPT
SCHEMBL17618783 0.83 MEN1 (0.47) MEN1MAPTKMT2A
SCHEMBL16249974 0.81 HTR2C (0.49) FAAHMEN1KMT2A
SCHEMBL19706095 0.81 CHRM3 (0.41) CHRM3CNR2TRPV4HTR6CNR1
SCHEMBL17618348 0.80 IDH2 (0.45) FAAHMEN1MAPTKMT2A
SCHEMBL16238014 0.80 MEN1 (0.38) MEN1MAPTKMT2A

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRM3 4560/4885FAAH 1092/4885UBE2M 379/4885

“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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