SCHEMBL16776304

SCHEMBL16776304

C=C(Nc1cccc(C2CCN(CC(C)=O)C2)c1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 12/20 0.46
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ UBE2M P61081 2/20 0.36
▸ DCUN1D1 Q96GG9 2/20 0.36
▸ FYN P06241 1/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL16776338 0.84 MCHR1 (0.44) MCHR1JAK2FYNMEN1KMT2A
SCHEMBL16776339 0.82 EPHX2 (0.43) MCHR1JAK2MEN1KMT2A
SCHEMBL16776340 0.81 MCHR1 (0.40) MCHR1JAK2MEN1KMT2A
SCHEMBL20632351 0.81 KDM4E (0.37) UBE2MDCUN1D1FYNMEN1KMT2A
SCHEMBL16776315 0.80 MCHR1 (0.41) MCHR1MEN1KMT2A
SCHEMBL16776322 0.77 NPC1 (0.44) JAK2FYNMEN1KMT2A
SCHEMBL16776367 0.76 NPC1 (0.44) FYNMEN1KMT2A
SCHEMBL16776437 0.75 RHOA (0.43) FYN
SCHEMBL16776446 0.75 SIGMAR1 (0.36) FYNMEN1KMT2A
SCHEMBL19365414 0.74 MCHR1 (0.45) MCHR1UBE2MDCUN1D1DRD2DRD4

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MCHR1 4256/4885JAK2 2392/4885JAK3 3700/4885

“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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