SCHEMBL16968504

SCHEMBL16968504

CCCCCCCCn1c2c(c3cc(-c4cccc(C)c4)ccc31)CN(C)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 11/20 1.00
▸ SIRT1 Q96EB6 6/20 1.00
▸ MAOA P21397 5/20 0.58
▸ MAOB P27338 5/20 0.58
▸ ADRA2A P08913 2/20 0.55
▸ HTR2A P28223 2/20 0.55
▸ HTR2C P28335 2/20 0.55
▸ HTR7 P34969 2/20 0.55
▸ ADRA1A P35348 2/20 0.55
▸ HRH1 P35367 2/20 0.55
▸ HTR6 P50406 2/20 0.55
▸ DRD2 P14416 1/20 0.55
▸ ICMT O60725 2/20 0.52

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
SCHEMBL15547586 0.89 SIRT2 (1.00) SIRT2SIRT1ICMT
SCHEMBL16978500 0.86 SIRT2 (1.00) SIRT2SIRT1MAOAMAOBADRA2A
SCHEMBL16978501 0.86 SIRT2 (1.00) SIRT2SIRT1ICMT
SCHEMBL15537135 0.85 SIRT2 (0.82) SIRT2SIRT1ICMT
SCHEMBL15548428 0.83 SIRT2 (0.85) SIRT2SIRT1ADRA2AHTR2AHTR2C
SCHEMBL15536943 0.82 SIRT2 (1.00) SIRT2SIRT1ICMT
SCHEMBL16978496 0.82 SIRT2 (1.00) SIRT2SIRT1MAOAMAOBADRA2A
SCHEMBL15536553 0.80 HTR6 (0.69) SIRT2SIRT1MAOAMAOBHRH1
SCHEMBL15548900 0.80 SIRT2 (0.67) SIRT2SIRT1MAOAMAOBADRA2A
SCHEMBL12951752 0.78 SIRT2 (0.63) SIRT2SIRT1MAOAMAOBADRA2A

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-9422238-B2 ICMT inhibitors NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 — — US disclosed
US-20150218095-A1 ICMT INHIBITORS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2015-08-06 — — 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-20150218095-A1 ICMT INHIBITORS INMT, CEPT1, ICMT SIRT2 1263/4885SIRT1 2389/4885MAOA 1340/4885

“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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