SCHEMBL13840702

SCHEMBL13840702

Cc1ccccc1[C@@H](O)CNC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.40
▸ ADRB1 P08588 3/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ NFKB1 P19838 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ BLM P54132 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34

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
SCHEMBL19361198 0.80 BCAT2 (0.40) BCAT2ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL18401343 0.80 BCAT2 (0.40) BCAT2ADRB1ADRB2CYP2D6NFKB1
SCHEMBL13840704 0.80 ADRA2A (0.44) BCAT2ADRB1ADRB2ALDH1A1CYP3A4
SCHEMBL11992119 0.77 ADRA2A (0.54) ADRB1ADRB2ALDH1A1CYP2D6SLC6A2
SCHEMBL3921879 0.75 BCAT2 (0.68) BCAT2CYP2D6LMNA
SCHEMBL14769096 0.75 BCAT2 (0.68) BCAT2CYP2D6LMNA
SCHEMBL22445613 0.74 ESR1 (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3NFKB1
SCHEMBL29359681 0.74 ESR1 (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3NFKB1
SCHEMBL7153630 0.74 ESR1 (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3NFKB1
SCHEMBL4780343 0.74 ESR1 (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3NFKB1

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
US-20170190658-A1 IMAGING AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-07-06 — — US disclosed
US-20150246142-A1 IMAGING AGENTS UNIV MICHIGAN (US) 2015-09-03 — — US disclosed
US-7534418-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-19 — — US disclosed
US-7534418-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-19 — — 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-20150246142-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 BCAT2 2984/4885ADRB1 1099/4885ADRB2 860/4885
US-20170190658-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 BCAT2 2984/4885ADRB1 1099/4885ADRB2 860/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 BCAT2 1371/4885ADRB1 1265/4885ADRB2 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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