SCHEMBL769390

SCHEMBL769390

CN(CCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1)C(=O)CCCCCNc1ccc2c(c1)CCN(CCCN(C)C(=O)OC(C)(C)C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
HDAC6 Q9UBN7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
DRD2 P14416 4/20 0.33
DRD3 P35462 3/20 0.33
DRD4 P21917 2/20 0.33
NPC1 O15118 1/20 0.32
HTR1A P08908 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BUB1 O43683 1/20 0.31
ADRB2 P07550 2/20 0.31
CHRM3 P20309 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
METAP2 P50579 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DRD1 P21728 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
SCHEMBL768844 0.90 HDAC6 (0.34) HDAC6DRD2DRD3DRD4HTR1A
SCHEMBL769389 0.86 GPR119 (0.36) TRPV4GPR119SIRT5DRD2DRD3
SCHEMBL380695 0.86 CHRM3 (0.45) CHRM3
SCHEMBL768563 0.85 CHRM2 (0.38) TRPV4HDAC6SIRT5DRD2NPC1
SCHEMBL768057 0.84 TRPV4 (0.37) TRPV4DRD4HTR1AADRB2CHRM3
SCHEMBL769117 0.80 MCHR1 (0.36) DRD2NPC1HTR1AMTORRAB9A
SCHEMBL768337 0.80 CHRM3 (0.42) HDAC6SIRT5DRD2CHRM3HDAC3
SCHEMBL768531 0.78 HTR4 (0.36) TRPV4DRD2DRD3DRD4ADRB2
SCHEMBL783790 0.78 CHRM3 (0.49) CHRM3
SCHEMBL768576 0.78 BCHE (0.36) TRPV4DRD2NPC1HTR1AMTOR

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 308/4885GPR119 354/4885HDAC6 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.