SCHEMBL15548900

SCHEMBL15548900

CCCCCCCCn1c2c(c3cc(Br)ccc31)CN(C)CC2

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 7/20 0.67
▸ SIRT1 Q96EB6 3/20 0.67
▸ MAOA P21397 5/20 0.64
▸ MAOB P27338 5/20 0.64
▸ HTR6 P50406 5/20 0.61
▸ HRH1 P35367 4/20 0.61
▸ HDAC1 Q13547 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.56
▸ ADRA2A P08913 2/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ HTR7 P34969 2/20 0.52
▸ ADRA1A P35348 2/20 0.52
▸ DRD2 P14416 1/20 0.50

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
SCHEMBL15536553 0.86 HTR6 (0.69) SIRT2SIRT1MAOAMAOBHTR6
SCHEMBL15547688 0.82 SIRT2 (0.58) SIRT2SIRT1MAOAMAOBHTR6
SCHEMBL15132703 0.81 MAOA (0.60) SIRT2SIRT1MAOAMAOBHTR6
SCHEMBL16968504 0.80 SIRT2 (1.00) SIRT2SIRT1MAOAMAOBHTR6
SCHEMBL15550724 0.80 SIRT2 (0.67) SIRT2SIRT1MAOAMAOB
SCHEMBL13696055 0.80 HTR6 (0.77) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL16978496 0.79 SIRT2 (1.00) SIRT2SIRT1MAOAMAOBHTR6
SCHEMBL13696064 0.78 HTR6 (0.67) HTR6HRH1HDAC1HDAC6ADRA2A
SCHEMBL3339737 0.77 SIGMAR1 (0.54) —
SCHEMBL3823482 0.77 SIGMAR1 (0.54) —

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 3 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
WO-2013180656-A1 ICMT Inhibitors NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-12-05 — — WO 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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