SCHEMBL5651807

SCHEMBL5651807

COc1ccc2nccc(CNN(C(=O)O)N3CCCCCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
LMNA P02545 1/20 0.49
ROCK2 O75116 1/20 0.48
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
KCNH2 Q12809 4/20 0.43
PREP P48147 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NCF1 P14598 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL3688184 0.77 ROCK2 (0.54) MTNR1AMTNR1BLMNAROCK2KDM4E
SCHEMBL3690391 0.76 KCNH2 (0.49) MTNR1AMTNR1BLMNAROCK2KCNH2
Cyclopropane SCHEMBL28100553 0.72 LMNA (0.91) MTNR1AMTNR1BLMNAKDM4EMAPK1
SCHEMBL5646708 0.71 MTNR1A (0.46) MTNR1AMTNR1BLMNAROCK2KDM4E
SCHEMBL5651810 0.70 MTNR1A (0.50) MTNR1AMTNR1BLMNAROCK2KDM4E
SCHEMBL3697127 0.70 MTNR1A (0.48) MTNR1AMTNR1BLMNAROCK2KDM4E
SCHEMBL592246 0.70 MTNR1A (0.67) MTNR1AMTNR1BLMNAROCK2KDM4E
SCHEMBL4081621 0.70 MTNR1A (0.64) MTNR1AMTNR1BLMNAROCK2KDM4E
SCHEMBL3684975 0.69 TACR1 (0.44) MTNR1AMTNR1BROCK2KDM4EMAPK1
SCHEMBL5651333 0.69 KCNH2 (0.48) MTNR1AMTNR1BROCK2KCNH2PREP

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-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 MTNR1A 3313/4885MTNR1B 2889/4885LMNA 4060/4885

“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.