SCHEMBL5327386

SCHEMBL5327386

NC[C@@H](CCO)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 5/20 0.56
▸ GABBR1 Q9UBS5 5/20 0.56
▸ AOC3 Q16853 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL5321547 1.00 GABBR2 (0.56) GABBR2GABBR1AOC3IDO1TDO2
SCHEMBL28778319 0.87 GABBR2 (0.44) GABBR2GABBR1AOC3IDO1TDO2
SCHEMBL5230376 0.83 GABBR2 (0.59) GABBR2GABBR1AOC3IDO1TDO2
SCHEMBL7908792 0.83 GABBR2 (0.42) GABBR2GABBR1AOC3IDO1TDO2
SCHEMBL11085032 0.83 GABBR2 (0.62) GABBR2GABBR1AOC3IDO1TDO2
SCHEMBL24681122 0.80 HTR2A (0.47) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL1835662 0.80 ESR1 (0.40) GABBR2GABBR1AOC3MEN1KMT2A
SCHEMBL1959897 0.80 ESR1 (0.40) GABBR2GABBR1AOC3MEN1KMT2A
SCHEMBL5404476 0.80 GABBR2 (0.40) GABBR2GABBR1AOC3IDO1TDO2
SCHEMBL1834790 0.80 ESR1 (0.40) GABBR2GABBR1AOC3MEN1KMT2A

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
WO-2007136325-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 2 ASTRAZENECA AB (SE) 2007-11-29 — — WO disclosed
US-20070270400-A1 New compounds 303 ALBIREO AB (SE) 2007-11-22 — — US disclosed
US-20070270399-A1 New compounds 302 ALBIREO AB (SE) 2007-11-22 — — US disclosed
US-20070270487-A1 Novel process and intermediates 085 ASTRAZENECA AB (SE) 2007-11-22 — — 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-20070270400-A1 New compounds 303 CYP11B2, CYP11B1, SDHA GABBR2 1419/4885GABBR1 1363/4885AOC3 1201/4885
US-20070270487-A1 Novel process and intermediates 085 CYP3A5, AGPAT5, CYP4F8 GABBR2 1606/4885GABBR1 1299/4885AOC3 1590/4885
US-20070270399-A1 New compounds 302 CYP11B2, CYP11B1, CYP4B1 GABBR2 887/4885GABBR1 1107/4885AOC3 2515/4885

“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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