SCHEMBL16216233

SCHEMBL16216233

CC(=N)N1CCN(c2ccc(CCCCF)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
HTR2A P28223 4/20 0.42
SIGMAR1 Q99720 3/20 0.42
LMNA P02545 2/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP21A2 P08686 1/20 0.40

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
SCHEMBL16216295 0.96 S1PR1 (0.45) S1PR1ITGB3ITGA2BHTR2ASIGMAR1
SCHEMBL16218815 0.86 CHIA (0.55) S1PR1ITGB3ITGA2BHTR2ASIGMAR1
SCHEMBL3118473 0.81 CHIA (0.56) S1PR1ITGB3ITGA2BHTR2ASIGMAR1
SCHEMBL16216149 0.78 GRM5 (0.43) ITGB3ITGA2BLMNADRD2DRD3
SCHEMBL20340801 0.75 CHKA (0.53) S1PR1HTR2ASIGMAR1LMNAHTR1A
SCHEMBL14344912 0.75 ALDH1A1 (0.58) LMNAMAPTMEN1KMT2APOLB
SCHEMBL16216146 0.74 DRD2 (0.53) ITGB3ITGA2BLMNADRD2DRD3
SCHEMBL9503394 0.73 SIGMAR1 (0.43) S1PR1HTR2ASIGMAR1HTR1ADRD2
SCHEMBL3114683 0.72 MAPT (0.57) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14344918 0.71 TAAR1 (0.57) LMNAMAPTMEN1KMT2APOLB

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 S1PR1 249/4885ITGB3 1533/4885ITGA2B 3463/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 S1PR1 249/4885ITGB3 1533/4885ITGA2B 3463/4885

“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.