SCHEMBL4163565

SCHEMBL4163565

O=C(O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.68
ALDH1A1 P00352 6/20 0.68
TSHR P16473 1/20 0.68
NPSR1 Q6W5P4 2/20 0.65
MAPT P10636 2/20 0.64
POLB P06746 1/20 0.63
RECQL P46063 1/20 0.63
NPY5R Q15761 2/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
LDHA P00338 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.53
PPARG P37231 1/20 0.52
KMT2A Q03164 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.51

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
SCHEMBL4163570 1.00 HPGD (0.68) HPGDALDH1A1TSHRNPSR1MAPT
SCHEMBL13590682 0.85 HPGD (0.64) HPGDALDH1A1TSHRNPSR1MAPT
SCHEMBL4390192 0.81 NPY5R (0.67) HPGDALDH1A1MAPTNPY5R
SCHEMBL4007555 0.81 NPY5R (0.67) HPGDALDH1A1MAPTNPY5R
SCHEMBL4394901 0.80 PRKD3 (0.55) HPGDALDH1A1TSHRMAPTNPY5R
SCHEMBL4394897 0.80 PRKD3 (0.55) HPGDALDH1A1TSHRMAPTNPY5R
SCHEMBL5131210 0.79 HPGD (0.64) HPGDALDH1A1TSHRNPSR1MAPT
SCHEMBL13856550 0.78 ALDH1A1 (1.00) HPGDALDH1A1TSHRNPSR1MAPT
SCHEMBL5622664 0.76 SMN1; SMN2 (0.64) ALDH1A1TSHRPOLBHTTSMN1; SMN2
SCHEMBL7468069 0.75 PPARG (0.64) ALDH1A1TSHRPOLBHTTSMN1; SMN2

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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US claimed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO claimed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 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 (1 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 HPGD 1028/4885ALDH1A1 169/4885TSHR 2914/4885

“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.