SCHEMBL527596

SCHEMBL527596

C[C@@H](NC(=O)C1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
HPGD P15428 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 1/20 0.67
RECQL P46063 1/20 0.66
LMNA P02545 2/20 0.63
ACACB O00763 1/20 0.61
HTT P42858 2/20 0.60
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 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
SCHEMBL6457656 1.00 POLB (0.71) POLBHPGDSMN1; SMN2GAARECQL
SCHEMBL6922906 1.00 POLB (0.71) POLBHPGDSMN1; SMN2GAARECQL
SCHEMBL19200906 0.92 ACACB (0.71) POLBHPGDSMN1; SMN2GAARECQL
SCHEMBL5521105 0.86 POLB (0.73) POLBHPGDSMN1; SMN2GAARECQL
SCHEMBL516877 0.85 ACACB (0.62) POLBHPGDSMN1; SMN2GAARECQL
SCHEMBL516876 0.85 ACACB (0.62) POLBHPGDSMN1; SMN2GAARECQL
SCHEMBL10378902 0.85 POLB (0.71) POLBHPGDSMN1; SMN2GAARECQL
SCHEMBL10379638 0.85 POLB (0.71) POLBHPGDSMN1; SMN2GAARECQL
SCHEMBL10671340 0.85 POLB (0.71) POLBHPGDSMN1; SMN2GAARECQL
SCHEMBL517633 0.84 RECQL (0.91) POLBHPGDSMN1; SMN2GAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 POLB 3369/4885HPGD 2310/4885SMN1; SMN2 1477/4885

“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.