SCHEMBL16218955

SCHEMBL16218955

NC[C@H](O)c1ccc(OCCF)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 3/20 0.46
▸ ADRA1A P35348 3/20 0.46
▸ ADRB2 P07550 2/20 0.46
▸ ADRA2B P18089 2/20 0.46
▸ ADRA2C P18825 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ADRA1B P35368 1/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38

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
SCHEMBL16216193 0.88 PDE2A (0.51) CA12CA1CA9MAOBAOC3
SCHEMBL10319690 0.80 FFAR1 (0.40) CA12CA1CA9ALDH1A1
SCHEMBL10305096 0.76 TAAR1 (0.52) ADRA2AADRA1AADRB2ADRA2BADRA2C
SCHEMBL10352297 0.76 FFAR1 (0.43) TDP1L3MBTL1ALDH1A1
SCHEMBL19618909 0.73 CARM1 (0.52) CYP3A4KDM4ERECQLL3MBTL1CARM1
SCHEMBL5225559 0.73 ADRA2C (0.57) ADRA2AADRA1AADRB2ADRA2BADRA2C
SCHEMBL7145782 0.73 ADRA2C (0.57) ADRA2AADRA1AADRB2ADRA2BADRA2C
SCHEMBL8226478 0.72 CARM1 (0.44) CYP3A4KDM4ERECQLCA12CA1
Hydrochloric Acid SCHEMBL5354434 0.72 KDM4E (0.58) ADRA2AADRA1AADRB2ADRA2BADRA2C
SCHEMBL7912630 0.70 NSD2 (0.46) MAPTCA12CA1CA9MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-24 — — US disclosed
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 — — EP disclosed
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 (3 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 ADRA2A 688/4885ADRA1A 647/4885ADRB2 1050/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ADRA2A 688/4885ADRA1A 647/4885ADRB2 1050/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ADRA2A 688/4885ADRA1A 647/4885ADRB2 1050/4885

“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.

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