SCHEMBL3689421

SCHEMBL3689421

c1cc2c(cc1CNC1CCCNCC1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNH2 Q12809 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL14020819 0.95 KDM1A (0.51) CYP3A4CYP2D6CYP2C19HTTKDM1A
SCHEMBL3695366 0.86 KDM1A (0.49) CYP3A4CYP2D6CYP2C19HTTKDM1A
Hydrochloric Acid SCHEMBL6307335 0.85 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19HTTKDM1A
Hydrochloric Acid SCHEMBL11689115 0.85 HRH3 (0.54) CYP3A4CYP2D6CYP2C19HTTKDM1A
SCHEMBL700617 0.84 KDM1A (0.57) CYP3A4CYP2D6CYP2C19HTTKDM1A
SCHEMBL622306 0.78 KCNH2 (0.49) CYP3A4CYP2D6CYP2C19HTTKDM1A
SCHEMBL622308 0.78 KCNH2 (0.49) CYP3A4CYP2D6CYP2C19HTTKDM1A
SCHEMBL11684898 0.77 MEN1 (0.65) CYP3A4CYP2D6CYP2C19HTTKDM1A
Hydrochloric Acid SCHEMBL11681375 0.76 POLB (0.64) CYP3A4CYP2D6CYP2C19HTTKDM1A
Hydrochloric Acid SCHEMBL11686509 0.76 POLB (0.64) CYP3A4CYP2D6CYP2C19HTTKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 CYP3A4 2089/4885CYP2D6 1401/4885CYP2C19 1841/4885

“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.