SCHEMBL16776263

SCHEMBL16776263

C[C@@H]1CCCNc2ccc(-c3cccc(N4CCCCC4)c3)nc2N1C(=O)Nc1cccnn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.39
▸ FLT3 P36888 2/20 0.36
▸ KARS1 Q15046 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ CAMK2D Q13557 1/20 0.34
▸ GRK6 P43250 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33

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
SCHEMBL16776265 0.90 HTR1A (0.42) FLT3KARS1JAK2TRPV3KIT
SCHEMBL16776270 0.86 ABL1 (0.42) KARS1JAK2KITSRCHTR1A
SCHEMBL16776190 0.85 FAAH (0.37) FAAH
SCHEMBL16776264 0.83 SLC27A1 (0.35) JAK2TRPV3KITHTR1AHTR7
SCHEMBL16776474 0.83 FAAH (0.39) FAAH
SCHEMBL16776200 0.82 FAAH (0.39) FAAH
SCHEMBL16776055 0.82 KARS1 (0.49) FAAHKARS1JAK2KITHTR1A
SCHEMBL16775993 0.81 ABL1 (0.43) KARS1JAK2TRPV3KITHTR1A
SCHEMBL16775987 0.80 KARS1 (0.36) KARS1JAK2KITHTR1AHTR7
SCHEMBL16776041 0.80 FAAH (0.40) FAAHFLT3KARS1JAK2KIT

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 FAAH 977/4885FLT3 319/4885KARS1 1760/4885

“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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