SCHEMBL768103

SCHEMBL768103

CNCCCCCC(=O)N(C)CCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
SLC2A1 P11166 2/20 0.37
PRCP P42785 1/20 0.37
CHRM3 P20309 7/20 0.37
CARM1 Q86X55 4/20 0.37
PRMT6 Q96LA8 4/20 0.37
NPC1 O15118 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
HTR7 P34969 1/20 0.36
CHRM2 P08172 1/20 0.36
CCR2 P41597 1/20 0.36

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
SCHEMBL767767 0.92 HRH3 (0.41) HRH3SLC2A1PRCPCHRM3NPC1
SCHEMBL768533 0.92 HRH3 (0.41) HRH3SLC2A1PRCPCHRM3NPC1
SCHEMBL768953 0.91 HRH3 (0.42) HRH3SLC2A1PRCPCHRM3NPC1
Hydrochloric Acid SCHEMBL768805 0.91 CHRM3 (0.45) HRH3SLC2A1PRCPCHRM3CHRM2
SCHEMBL768640 0.91 CHRM3 (0.45) HRH3SLC2A1PRCPCHRM3CHRM2
SCHEMBL768889 0.90 CHRM2 (0.39) HRH3SLC2A1CHRM3CARM1PRMT6
SCHEMBL769264 0.90 CHRM2 (0.39) HRH3SLC2A1CHRM3CARM1PRMT6
SCHEMBL768743 0.90 HRH3 (0.37) HRH3SLC2A1PRCPCHRM3CHRM2
Hydrochloric Acid SCHEMBL768546 0.89 CCR2 (0.42) HTR1ADRD2CCR2
SCHEMBL768708 0.89 CHRM2 (0.39) HRH3SLC2A1CHRM3CARM1PRMT6

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 HRH3 96/4885SLC2A1 1942/4885PRCP 4419/4885

“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.