SCHEMBL768439

SCHEMBL768439

CN(CCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1)C(=O)CCCCCNc1ccc(C(=O)N(C)CCCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
MCHR1 Q99705 1/20 0.39
HDAC6 Q9UBN7 8/20 0.38
SLC2A1 P11166 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CCR2 P41597 1/20 0.34
ADRB2 P07550 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL769264 0.95 CHRM2 (0.39) CHRM2MCHR1HDAC6SLC2A1TRPV4
SCHEMBL768889 0.95 CHRM2 (0.39) CHRM2MCHR1HDAC6SLC2A1TRPV4
SCHEMBL768563 0.90 CHRM2 (0.38) CHRM2MCHR1HDAC6SLC2A1TRPV4
SCHEMBL768447 0.89 CHRM2 (0.35) CHRM2MCHR1HDAC6SLC2A1HRH3
SCHEMBL767767 0.88 HRH3 (0.41) CHRM2SLC2A1HRH3CHRM3
SCHEMBL768533 0.88 HRH3 (0.41) CHRM2SLC2A1HRH3CHRM3
SCHEMBL768927 0.88 DRD2 (0.36) CHRM2MCHR1HRH3CCR2
SCHEMBL769140 0.88 CHRM2 (0.36) CHRM2MCHR1SLC2A1HRH3CCR2
SCHEMBL768953 0.88 HRH3 (0.42) CHRM2SLC2A1HRH3CHRM3
SCHEMBL768708 0.87 CHRM2 (0.39) CHRM2MCHR1HDAC6SLC2A1TRPV4

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 CHRM2 2/4885MCHR1 239/4885HDAC6 407/4885

“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.