SCHEMBL768998

SCHEMBL768998

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(c3cccc(-c4ccccc4)c3NC(=O)O)CC2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
SLC6A4 P31645 4/20 0.35
KCNH2 Q12809 2/20 0.34
CCR2 P41597 1/20 0.34
CHRM2 P08172 1/20 0.33
UBE2M P61081 3/20 0.33
DCUN1D1 Q96GG9 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AVPR2 P30518 1/20 0.32
CCR5 P51681 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 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
SCHEMBL769370 0.93 HDAC6 (0.33) HTR2AHTR2CSLC6A4KCNH2CHRM2
SCHEMBL768450 0.91 SLC2A1 (0.36) CHRM2
SCHEMBL769264 0.90 CHRM2 (0.39) CCR2CHRM2HRH3HTR1A
SCHEMBL768889 0.88 CHRM2 (0.39) CCR2CHRM2HRH3
SCHEMBL768103 0.87 HRH3 (0.41) CCR2CHRM2HRH3HTR1AHTR7
SCHEMBL768997 0.85 AVPR2 (0.35) HTR2AHTR2CSLC6A4KCNH2CHRM2
SCHEMBL768439 0.85 CHRM2 (0.39) CCR2CHRM2HRH3
SCHEMBL768358 0.85 HDAC6 (0.38) CCR2CHRM2HRH3HTR7
SCHEMBL768447 0.85 CHRM2 (0.35) HTR2ACCR2CHRM2HRH3HTR1A
SCHEMBL768927 0.84 DRD2 (0.36) HTR2ACCR2CHRM2HRH3HTR1A

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 HTR2A 222/4885HTR2C 188/4885SLC6A4 1605/4885

“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.