SCHEMBL3028964

SCHEMBL3028964

CN(C)CC(CN(C)C)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
DRD1 P21728 3/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
TBXA2R P21731 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
PYCR1 P32322 1/20 0.43
HRH1 P35367 3/20 0.42
HTR2A P28223 3/20 0.42
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL1241307 0.88 CHRM2 (0.39) TAAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL10620559 0.79 CHRNA7 (0.50) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL1239178 0.78 AOC3 (0.47) TAAR1CHRM2CHRM1DRD1SLC6A2
Hydrochloric Acid SCHEMBL10915686 0.77 TDP1 (0.41) TAAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL16152133 0.77 PYCR1 (0.43) TAAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL8754723 0.76 HTR2A (0.70) CHRM2CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL12891079 0.74 KCNH2 (0.43) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL13855513 0.74 HRH1 (0.53) CHRM2CHRM1DRD1SLC6A2SLC6A4
SCHEMBL4731046 0.73 HDAC8 (0.50) CHRM2CHRM1DRD1SLC6A2SLC6A3
SCHEMBL10744583 0.70 CYP2A6 (0.44) PYCR1HTR2A

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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 EP 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 TAAR1 4340/4885CHRM2 2320/4885CHRM1 620/4885

“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.