SCHEMBL4098340

SCHEMBL4098340

NC(=O)C1CCN(CCCNC(=O)[CH]Cc2c[nH]c3ccccc23)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MTNR1A P48039 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 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
SCHEMBL30274792 0.75 SMN1; SMN2 (0.58) HDAC8HDAC6MTNR1AADRA2AADRA2B
SCHEMBL7619256 0.72 MEN1 (0.48) HDAC8HDAC6
SCHEMBL7612256 0.71 MEN1 (0.47) HDAC8HDAC6
SCHEMBL631077 0.71 MAPT (0.50) HTR1BHTR2AHTR2C
SCHEMBL4365634 0.70 HDAC1 (0.64) HDAC8HDAC6MTNR1A
SCHEMBL7614707 0.69 GFER (0.53) ACHE
SCHEMBL7618887 0.68 MEN1 (0.48)
SCHEMBL7641916 0.68 MEN1 (0.58)
SCHEMBL7613223 0.67 HDAC3 (0.48) HDAC8HDAC6
SCHEMBL2124899 0.67 MAPT (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005419-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 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-20090005419-A1 Organic Compounds ELAVL1, RBM3, RRBP1 CCR2 1816/4885HDAC8 3365/4885HDAC6 1621/4885

“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.