SCHEMBL768997

SCHEMBL768997

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.35
MCHR1 Q99705 1/20 0.35
UBE2M P61081 3/20 0.35
DCUN1D1 Q96GG9 3/20 0.35
OPRM1 P35372 4/20 0.35
CHRM2 P08172 1/20 0.35
CCR5 P51681 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC2A1 P11166 2/20 0.32

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
SCHEMBL769369 0.93 MCHR1 (0.35) MCHR1UBE2MDCUN1D1OPRM1CHRM2
SCHEMBL768449 0.92 DRD2 (0.38) MCHR1OPRM1CHRM2SLC2A1
SCHEMBL769263 0.90 MCHR1 (0.44) MCHR1OPRM1CHRM2CCR5SLC2A1
SCHEMBL768888 0.88 MCHR1 (0.44) MCHR1OPRM1CHRM2SLC2A1
SCHEMBL768102 0.86 OPRM1 (0.41) MCHR1OPRM1SLC2A1
SCHEMBL768998 0.85 HTR2A (0.35) AVPR2UBE2MDCUN1D1CHRM2CCR5
SCHEMBL380442 0.85 CHRM2 (0.51) CHRM2SLC2A1
SCHEMBL768446 0.85 MCHR1 (0.38) MCHR1UBE2MDCUN1D1OPRM1CHRM2
SCHEMBL768438 0.85 MCHR1 (0.44) MCHR1OPRM1CHRM2SLC2A1
SCHEMBL768357 0.85 MCHR1 (0.39) MCHR1OPRM1CHRM2SLC2A1

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 AVPR2 163/4885MCHR1 239/4885UBE2M 2528/4885

“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.