SCHEMBL2188091

SCHEMBL2188091

CC(C)(N)CCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 1/20 0.41
ARG1 P05089 4/20 0.40
ARG2 P78540 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL2189098 1.00 HRH3 (0.44) HRH3MAPTARG1ARG2LMNA
SCHEMBL2187236 0.98 CARM1 (0.41) HRH3MAPTARG1ARG2LMNA
SCHEMBL24767663 0.86 HRH3 (0.52) HRH3ARG1ARG2LMNACHRM2
Hydrochloric Acid SCHEMBL2187540 0.85 HRH3 (0.50) HRH3ARG1ARG2LMNACHRM2
Hydrochloric Acid SCHEMBL2188892 0.85 HRH3 (0.50) HRH3ARG1ARG2LMNACHRM2
Hydrochloric Acid SCHEMBL2187959 0.82 HRH3 (0.46) HRH3MAPTARG1ARG2LMNA
SCHEMBL22212573 0.81 RAB9A (0.39) MAPTLMNACHRM2CHRM1SIGMAR1
SCHEMBL10032106 0.80 HRH3 (0.48) HRH3MAPTLMNACHRM2HTR1A
SCHEMBL24277911 0.80 HRH3 (0.48) HRH3MAPTLMNACHRM2HTR1A
SCHEMBL820814 0.80 HRH3 (0.48) HRH3MAPTLMNACHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
EP-2341886-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NovaBay Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2010054269-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-05-14 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-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO HRH3 1509/4885MAPT 4798/4885ARG1 19/4885

“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.