SCHEMBL16776265

SCHEMBL16776265

C[C@@H]1CCCNc2ccc(-c3cccc(N4CCCCC4)c3)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ VCP P55072 1/20 0.42
▸ KARS1 Q15046 2/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ TP53BP1 Q12888 2/20 0.37
▸ FLT3 P36888 2/20 0.36
▸ CAMK2D Q13557 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT8 Q9NR22 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

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
SCHEMBL16776263 0.90 FAAH (0.39) HTR1AHTR7KARS1JAK2FLT3
SCHEMBL16776124 0.88 CNR2 (0.38) VCPGRM5RPS6KA3RPS6KA2DRD2
SCHEMBL16776055 0.86 KARS1 (0.49) HTR1AHTR7KARS1JAK2CAMK2D
SCHEMBL16785523 0.86 DRD2 (0.39) HTR1ARPS6KA3RPS6KA2DRD2CNR2
SCHEMBL16776123 0.86 ABL1 (0.38) VCPGRM5RPS6KA3RPS6KA2CNR2
SCHEMBL16776039 0.85 VCP (0.40) HTR1AHTR7VCPKARS1RPS6KA3
SCHEMBL16776270 0.85 ABL1 (0.42) HTR1AKARS1JAK2CAMK2DRPS6KA3
SCHEMBL16776060 0.84 FGFR4 (0.43) HTR1AHTR7VCPKARS1GRM5
SCHEMBL19670153 0.84 VCP (0.41) HTR1AHTR7VCPKARS1GRM5
SCHEMBL16776264 0.84 SLC27A1 (0.35) HTR1AHTR7JAK2CAMK2DPRKCI

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 HTR1A 4632/4885HTR7 4361/4885VCP 1270/4885

“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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