SCHEMBL5474349

SCHEMBL5474349

NC(=O)N(CCCCN1CCN(c2cccc3c2OCCC3)CC1)c1nc2cccnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.48
DRD2 P14416 7/20 0.48
HTR2A P28223 4/20 0.48
ADRA1D P25100 1/20 0.36
HTR1B P28222 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CXCR4 P61073 1/20 0.35
HTR7 P34969 2/20 0.35

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
SCHEMBL5468606 0.98 DRD2 (0.47) HTR1ADRD2HTR2AADRA1DHTR1B
SCHEMBL5468162 0.96 HTR1A (0.42) HTR1ADRD2HTR2AADRA1DHTR1B
SCHEMBL5470435 0.87 HTR1A (0.48) HTR1ADRD2HTR2AADRA1DHTR1B
SCHEMBL5471383 0.84 DRD2 (0.48) HTR1ADRD2HTR2AADRA1DHTR1B
SCHEMBL5461977 0.84 DRD2 (0.47) HTR1ADRD2HTR2AADRA1DHTR1B
SCHEMBL5461985 0.82 DRD2 (0.44) HTR1ADRD2HTR2AADRA1A
SCHEMBL5468095 0.82 HTR1A (0.43) HTR1ADRD2HTR2AADRA1DHTR1B
SCHEMBL5479077 0.82 DRD2 (0.50) HTR1ADRD2HTR2AADRA1AHTR7
SCHEMBL5463279 0.82 DRD2 (0.48) HTR1ADRD2HTR2AADRA1AHTR7
SCHEMBL5473542 0.81 DRD2 (0.46) HTR1ADRD2HTR2AADRA1DHTR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US claimed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A HTR1A 3/4885DRD2 64/4885HTR2A 5/4885

“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.