SCHEMBL19706080

SCHEMBL19706080

O=C(Nc1cccc(CN2CCOCC2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CCC21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.51
▸ THRB P10828 1/20 0.47
▸ RHOA P61586 1/20 0.46
▸ FAAH O00519 2/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ UBE2M P61081 5/20 0.43
▸ DCUN1D1 Q96GG9 5/20 0.43
▸ ACKR3 P25106 3/20 0.42
▸ TRPV4 Q9HBA0 3/20 0.42

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
SCHEMBL19365836 0.86 MAPT (0.49) —
SCHEMBL19670537 0.84 CNR2 (0.51) CNR2THRBRHOAFAAHCNR1
SCHEMBL19365834 0.84 CNR2 (0.51) CNR2THRBRHOAFAAHCNR1
SCHEMBL17618795 0.83 CNR2 (0.49) CNR2THRBRHOAFAAHCNR1
SCHEMBL19365388 0.82 SMN1; SMN2 (0.47) CNR2TRPV4
SCHEMBL19706075 0.82 KDM1A (0.43) FAAH
SCHEMBL19365389 0.82 FYN (0.44) —
SCHEMBL19365580 0.81 MAPT (0.43) TRPV4
SCHEMBL19670264 0.80 MAPT (0.45) RHOAUBE2MDCUN1D1
SCHEMBL16776332 0.79 CNR2 (0.51) CNR2THRBRHOAFAAHCNR1

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885THRB 2054/4885RHOA 4798/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885THRB 2054/4885RHOA 4798/4885

“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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