SCHEMBL5833206

SCHEMBL5833206

CC(C)(C)NCCCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.54
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HRH1 P35367 1/20 0.40
MAPT P10636 1/20 0.39
MAOB P27338 3/20 0.39
RAD52 P43351 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13762258 0.98 HRH3 (0.50) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL12257623 0.94 HRH3 (0.50) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL10259141 0.92 CARM1 (0.46) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL12257608 0.88 CARM1 (0.41) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL13137785 0.85 CARM1 (0.54) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL7745180 0.85 CARM1 (0.54) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL10192177 0.83 CARM1 (0.56) HRH3CARM1PRMT6PRMT8SIGMAR1
SCHEMBL13884244 0.83 SMN1; SMN2 (0.41) CARM1PRMT6PRMT8ALDH1A1MAPT
SCHEMBL24621746 0.79 DRD2 (0.35) HRH3ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL24621739 0.79 DRD2 (0.35) HRH3ALDH1A1MAPTMAPK1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO disclosed
US-7153861-B2 For therapy of atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-26 US disclosed
US-20040097525-A1 For therapy of atheroscelerosis SMITHKLINE BEECHAM PLC 2004-05-20 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 (2 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-20040097525-A1 For therapy of atheroscelerosis LYPLA2, LOXL2, LYPLA1 HRH3 3940/4885CARM1 4752/4885PRMT6 3439/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 HRH3 1334/4885CARM1 762/4885PRMT6 748/4885

“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.