SCHEMBL768154

SCHEMBL768154

CN(CCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1)C(=O)CCCCCN(Cc1ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)s1)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
SLC2A1 P11166 2/20 0.31
CHRM2 P08172 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL787151 0.91 HDAC3 (0.31) SLC2A1CHRM2HDAC3HDAC1HDAC2
SCHEMBL380566 0.86 CHRM2 (0.46) SLC2A1CHRM2
SCHEMBL768153 0.85 ACHE (0.33) SLC2A1CHRM2
SCHEMBL768563 0.81 CHRM2 (0.38) TRPV4SLC2A1CHRM2
SCHEMBL768576 0.79 BCHE (0.36) TRPV4SLC2A1CHRM2
SCHEMBL768057 0.79 TRPV4 (0.37) TRPV4SLC2A1CHRM2
SCHEMBL768531 0.79 HTR4 (0.36) TRPV4SLC2A1
SCHEMBL783861 0.78 CHRM3 (0.51) SLC2A1CHRM2
SCHEMBL768337 0.78 CHRM3 (0.42) SLC2A1CHRM2HDAC3HDAC1HDAC8
SCHEMBL380826 0.78 CHRM2 (0.47) SLC2A1CHRM2

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 TRPV4 308/4885SLC2A1 1942/4885CHRM2 2/4885

“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.