SCHEMBL3547840

SCHEMBL3547840

NC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
FUCA1 P04066 2/20 0.53
GBA1 P04062 1/20 0.52
SLC18A3 Q16572 3/20 0.51
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
BACE1 P56817 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CCR3 P51677 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL3547834 1.00 ALDH1A1 (0.55) ALDH1A1FUCA1GBA1SLC18A3ACHE
SCHEMBL3547837 1.00 ALDH1A1 (0.55) ALDH1A1FUCA1GBA1SLC18A3ACHE
SCHEMBL13610889 0.88 FUCA1 (0.57) ALDH1A1FUCA1GBA1SLC18A3ACHE
SCHEMBL3707425 0.88 FUCA1 (0.57) ALDH1A1FUCA1GBA1SLC18A3ACHE
SCHEMBL21593408 0.86 GBA1 (0.66) ALDH1A1FUCA1GBA1SLC18A3ACHE
SCHEMBL21593480 0.86 GBA1 (0.66) ALDH1A1FUCA1GBA1SLC18A3ACHE
SCHEMBL21593411 0.86 GBA1 (0.66) ALDH1A1FUCA1GBA1SLC18A3ACHE
SCHEMBL6042430 0.86 GBA1 (0.66) ALDH1A1FUCA1GBA1SLC18A3ACHE
SCHEMBL7236741 0.86 CCR3 (0.57) ALDH1A1FUCA1GBA1SLC18A3ACHE
SCHEMBL1873794 0.86 GBA1 (0.66) ALDH1A1FUCA1GBA1SLC18A3ACHE

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-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS ALDH1A1 4483/4885FUCA1 4866/4885GBA1 3981/4885
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS ALDH1A1 3689/4885FUCA1 4511/4885GBA1 3817/4885

“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.