SCHEMBL15722822

SCHEMBL15722822

COCC1CCC(C(=O)N(CCN2CCN(c3ccccc3O)CC2)c2ccccn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.76
ADRA1A P35348 6/20 0.76
DRD4 P21917 5/20 0.66
ADRA1B P35368 5/20 0.66
ADRA1D P25100 4/20 0.66
HTR7 P34969 3/20 0.66
HTR1B P28222 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
TSHR P16473 1/20 0.66
HTR2B P41595 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
KMT2A Q03164 1/20 0.61
HTR2A P28223 1/20 0.58

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
SCHEMBL15722836 0.91 HTR1A (0.84) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL16709203 0.90 HTR1A (0.80) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL15722844 0.89 HTR1A (0.80) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL15722864 0.89 HTR1A (0.80) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL14821959 0.89 HTR1A (0.80) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL15709818 0.89 HTR1A (0.80) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL15709593 0.87 HTR1A (0.66) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL14672139 0.87 HTR1A (0.66) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL15709594 0.87 HTR1A (0.66) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL8013725 0.86 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1BADRA1D

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-20140140928-A1 5HT1A ANTAGONIST USEFUL FOR IN VIVO IMAGING GE HEALTHCARE LIMITED (GB) 2014-05-22 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-20140140928-A1 5HT1A ANTAGONIST USEFUL FOR IN VIVO IMAGING HTR1A, HTR1E, HTR5A HTR1A 1/4885ADRA1A 30/4885DRD4 150/4885

“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.