SCHEMBL19706091

SCHEMBL19706091

CCN1CC[C@@H](C)N(C(=O)Nc2cncc(F)c2)c2nc(N3CC[C@H](F)C3)ccc2S1(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.32
▸ ABL1 P00519 4/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ P2RX7 Q99572 3/20 0.31
▸ HTR1F P30939 1/20 0.31
▸ MCHR1 Q99705 1/20 0.30
▸ CACNA1G O43497 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ CACNA1I Q9P0X4 1/20 0.30

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
SCHEMBL19365870 0.90 HTR1F (0.33) ADORA2AABL1ADORA2BP2RX7HTR1F
SCHEMBL16238775 0.83 ADORA2A (0.33) ADORA2AABL1ADORA2BP2RX7HTR1F
SCHEMBL16238778 0.83 ADORA2A (0.33) ADORA2AABL1ADORA2BP2RX7HTR1F
SCHEMBL19670383 0.79 MEN1 (0.36) —
SCHEMBL19670507 0.74 KARS1 (0.34) ABL1CACNA1GCACNA1HCACNA1I
SCHEMBL19670514 0.74 KARS1 (0.34) ABL1CACNA1GCACNA1HCACNA1I
SCHEMBL16776202 0.73 DGAT2 (0.34) ADORA2AABL1ADORA2BHTR1FCACNA1G
SCHEMBL19365507 0.69 MAPT (0.37) MCHR1
SCHEMBL19670291 0.69 CACNA1G (0.36) ADORA2AABL1HTR1FCACNA1GCACNA1H
SCHEMBL19365678 0.69 PDE10A (0.34) CACNA1GCACNA1HCACNA1I

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 ADORA2A 2325/4885ABL1 4089/4885ADORA2B 2412/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ADORA2A 2325/4885ABL1 4089/4885ADORA2B 2412/4885

“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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