SCHEMBL17618787

SCHEMBL17618787

O=C(NCCCN1CCOCC1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ CTSK P43235 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ TRPV4 Q9HBA0 6/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ GPR52 Q9Y2T5 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ BRAF P15056 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
SCHEMBL17618794 0.95 LMNA (0.43) SMN1; SMN2POLBCTSKKCNH2TRPV4
SCHEMBL19699710 0.88 ITGB2 (0.42) CTSKKCNH2DRD2DRD3LIPG
SCHEMBL19689730 0.88 ITGB2 (0.42) CTSKKCNH2DRD2DRD3LIPG
SCHEMBL19346987 0.87 CASP6 (0.41) DRD2DRD3LIPGALDH1A1ITGB3
SCHEMBL19346988 0.87 CASP6 (0.41) DRD2DRD3LIPGALDH1A1ITGB3
SCHEMBL17778734 0.87 KCNH2 (0.42) KCNH2LIPGGPR52ALDH1A1
SCHEMBL17768260 0.86 KMT2A (0.40) POLBLIPGCNR2ALDH1A1ITGB3
SCHEMBL17618776 0.85 ASAH1 (0.40) CTSKTRPV4DRD2DRD3
SCHEMBL17618789 0.85 NAMPT (0.44) —
SCHEMBL17618777 0.85 ASAH1 (0.42) TRPV4DRD2DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2211/4885POLB 798/4885CTSK 2478/4885

“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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