SCHEMBL16776315

SCHEMBL16776315

O=C(Nc1cccc(C2CCNC2)c1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ EPHB4 P54760 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38

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
SCHEMBL16776322 0.89 NPC1 (0.44) MEN1KMT2ASMN1; SMN2CA2CA9
SCHEMBL16776338 0.88 MCHR1 (0.44) MCHR1MEN1KMT2ASMN1; SMN2CA2
SCHEMBL16776340 0.88 MCHR1 (0.40) MCHR1MEN1KMT2ASMN1; SMN2CA2
SCHEMBL19365248 0.87 MCHR1 (0.41) MCHR1MEN1POLBKMT2AEPHB4
SCHEMBL16776339 0.86 EPHX2 (0.43) MCHR1MEN1KMT2ASMN1; SMN2CA2
SCHEMBL16776329 0.86 FYN (0.42) POLBHTR2CSMN1; SMN2CA2CA9
SCHEMBL19365247 0.85 MCHR1 (0.39) MCHR1MEN1POLBKMT2AHTR2C
SCHEMBL16785648 0.85 EPHB4 (0.44) MEN1POLBKMT2AEPHB4SMN1; SMN2
SCHEMBL16776367 0.84 NPC1 (0.44) MEN1KMT2AHTR2CCA2CA9
SCHEMBL16776321 0.83 FYN (0.44) MEN1KMT2AHTR2CSMN1; SMN2CA2

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 4256/4885MEN1 3676/4885POLB 961/4885

“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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