SCHEMBL16776325

SCHEMBL16776325

O=C(NCCc1ccccn1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.40
▸ KCNH2 Q12809 2/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ CACNA1B Q00975 2/20 0.37
▸ PHGDH O43175 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NTRK3 Q16288 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
SCHEMBL16776369 0.95 CTSK (0.41) CHRM4KCNH2GRIN1GRIN2BKMO
SCHEMBL16776316 0.90 CA12 (0.42) CHRM4ALDH1A1KMT2AKMONAMPT
SCHEMBL16776305 0.86 ASAH1 (0.41) CHRM4KCNH2KMOCTSKNAMPT
SCHEMBL16776303 0.86 ASAH1 (0.44) KMONAMPT
SCHEMBL16776320 0.85 KMT2A (0.43) CHRM4GRIN1GRIN2BKDM4EKMT2A
SCHEMBL16775892 0.84 FGFR4 (0.42) KCNH2ALDH1A1KMT2AKMOSCN9A
SCHEMBL16776302 0.84 POLB (0.43) KDM4EALDH1A1KMOLMNA
SCHEMBL16776337 0.84 EPHB4 (0.39) CHRM4KCNH2GRIN1GRIN2BKMO
SCHEMBL16776319 0.82 LMNA (0.45) KCNH2KMT2ACTSKLMNA
SCHEMBL16776363 0.82 CYP1A2 (0.49) ALDH1A1KMT2ASCN9ALMNAMAPT

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 CHRM4 4421/4885KCNH2 4052/4885MCHR1 4256/4885

“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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