SCHEMBL3625675

SCHEMBL3625675

CC(C)(C)N(CC1CCCN(Cc2ccc(O)cc2)C1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
BCHE P06276 4/20 0.46
ACHE P22303 2/20 0.46
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL3643830 0.88 KCNH2 (0.49) CYP2D6BCHEACHEKDM4EPOLB
SCHEMBL3524495 0.83 ACHE (0.53) BCHEACHE
SCHEMBL4397749 0.83 ACHE (0.53) BCHEACHE
SCHEMBL2237331 0.75 ALDH1A1 (0.55) BCHEKDM4EHTTPKMSMN1; SMN2
SCHEMBL2236062 0.73 HRH3 (0.48) KDM4EHTTMEN1KMT2A
SCHEMBL2237558 0.73 BCHE (0.49) BCHEACHEKDM4EHTTMEN1
SCHEMBL20253123 0.72 LTA4H (0.55) CYP2D6BCHEACHEKDM4EHTT
SCHEMBL2239373 0.72 HRH3 (0.54) KDM4EMEN1KMT2A
SCHEMBL9450157 0.72 MEN1 (0.47) KDM4EMEN1KMT2APKMSMN1; SMN2
SCHEMBL1700074 0.71 FEN1 (0.39) POLBSMN1; 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 2 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-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 (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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS CYP2D6 301/4885BCHE 1883/4885ACHE 2774/4885

“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.