SCHEMBL5429645

SCHEMBL5429645

O=C(O)NCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.61
DRD2 P14416 4/20 0.57
DRD3 P35462 4/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALDH1A1 P00352 2/20 0.55
EPHX2 P34913 1/20 0.54
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CCR3 P51677 1/20 0.52

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
SCHEMBL2770194 1.00 DRD4 (0.61) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL2769124 1.00 DRD4 (0.61) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL1502120 0.90 DRD4 (0.59) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL4496185 0.87 CCR3 (0.68) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL9686830 0.87 DRD4 (0.55) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL3922376 0.87 CCR3 (0.68) DRD4DRD2DRD3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL21641334 0.86 DRD4 (0.54) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL13538758 0.85 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL5364553 0.85 DRD4 (0.65) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL3607018 0.84 DRD4 (0.52) DRD4DRD2DRD3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101817815-A Compounds with antibacterial activity MORPHOCHEM AG KOMB CHEMIE 2010-09-01 CN disclosed
CN-100569769-C Compounds with fungicidal activity MORPHOCHEM AG KOMB CHEMIE (DE) 2009-12-16 CN disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
CN-101035785-A Novel compounds having an anti-bacterial activity MORPHOCHEM AG KOMB CHEMIE (DE) 2007-09-12 CN 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
CN-1703412-A Novel compounds with fungicidal activity MORPHOCHEM AG KOMB CHEMIE (DE) 2005-11-30 CN 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 DRD4 2564/4885DRD2 4147/4885DRD3 3644/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 DRD4 2194/4885DRD2 2960/4885DRD3 2998/4885

“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.