SCHEMBL16216136

SCHEMBL16216136

FCCOc1ccc(N2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.66
KCNH2 Q12809 2/20 0.66
DRD2 P14416 6/20 0.58
DRD3 P35462 6/20 0.58
DRD4 P21917 2/20 0.58
CHKA P35790 1/20 0.51
MAPT P10636 6/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HRH1 P35367 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46

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
SCHEMBL16218812 0.83 DRD2 (0.59) HRH3KCNH2DRD2DRD3DRD4
SCHEMBL3117428 0.83 ADRB1 (0.57) HRH3KCNH2DRD2DRD3DRD4
SCHEMBL4723204 0.82 HRH3 (0.71) HRH3KCNH2DRD4CHKAMAPT
SCHEMBL4720769 0.82 HRH3 (0.66) HRH3KCNH2CHKAMAPTMEN1
SCHEMBL8234344 0.81 HRH3 (0.64) HRH3KCNH2CHKAMAPTMEN1
SCHEMBL16216283 0.80 DRD2 (0.53) HRH3KCNH2DRD2DRD3DRD4
SCHEMBL28036344 0.80 HRH3 (0.59) HRH3KCNH2CHKAMAPTMEN1
SCHEMBL4721424 0.80 HRH3 (0.63) HRH3KCNH2DRD2CHKAMAPT
SCHEMBL4764176 0.80 HRH3 (0.68) HRH3KCNH2CHKAMAPTMEN1
SCHEMBL7297509 0.79 HRH3 (0.67) HRH3KCNH2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 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 (2 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 HRH3 3946/4885KCNH2 2249/4885DRD2 2862/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 HRH3 3946/4885KCNH2 2249/4885DRD2 2862/4885

“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.