SCHEMBL769117

SCHEMBL769117

CN(CCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1)C(=O)CCCCCNc1ccc2c(c1)CCNC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
NPC1 O15118 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
CD274 Q9NZQ7 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2 P17301 1/20 0.32
ITGA2B P08514 1/20 0.32
ADRB2 P07550 3/20 0.32
CHRM3 P20309 3/20 0.32
SLC2A1 P11166 2/20 0.32
CCR2 P41597 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL768943 0.84 CCNC (0.36) MCHR1HRH3SLC2A1CCR2
SCHEMBL769116 0.84 MCHR1 (0.34) MCHR1DRD2ADRB2CHRM3SLC2A1
SCHEMBL381592 0.83 CHRM3 (0.51) CHRM3SLC2A1
SCHEMBL768844 0.83 HDAC6 (0.34) HTR1ADRD2HRH3
SCHEMBL768103 0.82 HRH3 (0.41) NPC1HTR1ADRD2MTORRAB9A
Hydrochloric Acid SCHEMBL768511 0.82 JAK1 (0.34) HRH3CCR2
SCHEMBL767767 0.81 HRH3 (0.41) NPC1HTR1ADRD2MTORRAB9A
SCHEMBL768533 0.81 HRH3 (0.41) NPC1HTR1ADRD2MTORRAB9A
SCHEMBL768439 0.81 CHRM2 (0.39) MCHR1HRH3ADRB2CHRM3SLC2A1
SCHEMBL768889 0.81 CHRM2 (0.39) MCHR1HRH3ADRB2CHRM3SLC2A1

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 MCHR1 239/4885NPC1 1488/4885HTR1A 626/4885

“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.