SCHEMBL17618795

SCHEMBL17618795

O=C(Nc1cccc(CN2CCOCC2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.49
▸ RHOA P61586 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ UBE2M P61081 5/20 0.41
▸ DCUN1D1 Q96GG9 5/20 0.41
▸ WDR5 P61964 1/20 0.41
▸ TRPV4 Q9HBA0 3/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ ALK Q9UM73 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
SCHEMBL16249963 0.91 CHRM3 (0.45) CNR2CNR1FAAHUBE2MDCUN1D1
Trifluoroacetic Acid SCHEMBL16238254 0.89 FAAH (0.43) CNR2FAAHUBE2MDCUN1D1TRPV4
SCHEMBL17618875 0.88 KMT2A (0.41) FAAHUBE2MDCUN1D1
SCHEMBL17618783 0.88 MEN1 (0.47) —
SCHEMBL19365834 0.87 CNR2 (0.51) CNR2RHOATHRBCNR1FAAH
SCHEMBL19865068 0.87 CHRM3 (0.46) CNR2CNR1FAAHUBE2MDCUN1D1
SCHEMBL19670537 0.87 CNR2 (0.51) CNR2RHOATHRBCNR1FAAH
SCHEMBL17618348 0.85 IDH2 (0.45) FAAH
SCHEMBL17618796 0.85 MEN1 (0.45) —
SCHEMBL17618794 0.84 LMNA (0.43) CNR2TRPV4

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 9 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
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3123/4885RHOA 4858/4885THRB 1653/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885RHOA 4798/4885THRB 2054/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885RHOA 4798/4885THRB 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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