SCHEMBL14762016

SCHEMBL14762016

O=C(C1CCCCC1)N(CCN1CCN(c2cccc(F)n2)CC1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.72
DRD4 P21917 7/20 0.72
ADRA1A P35348 6/20 0.72
ADRA1B P35368 5/20 0.72
HTR7 P34969 3/20 0.72
HTR2B P41595 3/20 0.72
HTR2A P28223 2/20 0.72
SMN1; SMN2 Q16637 3/20 0.67
ADRA1D P25100 3/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
HTR1B P28222 1/20 0.64
LMNA P02545 2/20 0.59
MEN1 O00255 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL14762076 0.94 HTR1A (0.63) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL14761341 0.86 HTR1A (0.53) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8010894 0.84 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL14761356 0.82 HTR1A (0.46) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8013725 0.81 HTR1A (1.00) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL9196408 0.81 HTR1A (0.82) HTR1ADRD4ADRA1AADRA1BHTR7
Hydrochloric Acid SCHEMBL29989604 0.80 HTR1A (0.98) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL7956992 0.80 HTR1A (0.78) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL7956811 0.80 HTR1A (0.78) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL7956950 0.79 HTR1A (0.78) HTR1ADRD4ADRA1AADRA1BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A HTR1A 3/4885DRD4 109/4885ADRA1A 207/4885

“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.