SCHEMBL5651810

SCHEMBL5651810

COc1ccc2nccc(CN[N+]3(NC(=O)[O-])CCCCCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
ROCK2 O75116 1/20 0.48
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DDR2 Q16832 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
SCHEMBL3697127 0.82 MTNR1A (0.48) MTNR1AMTNR1BROCK2LMNAKDM4E
SCHEMBL3688184 0.71 ROCK2 (0.54) MTNR1AMTNR1BROCK2LMNAKDM4E
SCHEMBL5651807 0.70 MTNR1A (0.50) MTNR1AMTNR1BROCK2LMNAKDM4E
SCHEMBL4081621 0.70 MTNR1A (0.64) MTNR1AMTNR1BROCK2LMNAKDM4E
SCHEMBL2544860 0.69 MTNR1A (0.61) MTNR1AMTNR1BROCK2LMNAKDM4E
Bromide SCHEMBL30402372 0.68 MTNR1A (0.60) MTNR1AMTNR1BROCK2LMNAKDM4E
SCHEMBL30511844 0.67 MTNR1A (0.64) MTNR1AMTNR1BROCK2LMNAKDM4E
SCHEMBL592246 0.67 MTNR1A (0.67) MTNR1AMTNR1BROCK2LMNAKDM4E
SCHEMBL6559881 0.67 MTNR1B (1.00) MTNR1AMTNR1BKDM4ECYP1A2HTR1A
Cyclopropane SCHEMBL28100553 0.67 LMNA (0.91) MTNR1AMTNR1BLMNAKDM4EMAPK1

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 2889/4885ROCK2 3522/4885

“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.