SCHEMBL516711

SCHEMBL516711

CC(C)C1COCCN1C(=O)C1CCC(N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.45
SMYD3 Q9H7B4 6/20 0.44
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
FKBP1A P62942 1/20 0.32

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
SCHEMBL516710 1.00 PIK3CD (0.45) PIK3CDSMYD3CA12CA1CA2
SCHEMBL19465808 1.00 PIK3CD (0.45) PIK3CDSMYD3CA12CA1CA2
SCHEMBL516709 1.00 PIK3CD (0.45) PIK3CDSMYD3CA12CA1CA2
SCHEMBL19064665 0.85 PIK3CD (0.47) PIK3CDCA12CA1CA2CA9
SCHEMBL19065020 0.85 PIK3CD (0.47) PIK3CDCA12CA1CA2CA9
SCHEMBL15640716 0.81 PIK3CD (0.41) PIK3CDSMYD3CA12CA1CA2
SCHEMBL15640717 0.81 PIK3CD (0.41) PIK3CDSMYD3CA12CA1CA2
SCHEMBL12487533 0.81 PIK3CD (0.41) PIK3CDSMYD3CA12CA1CA2
SCHEMBL516867 0.77 PIK3CD (0.38) PIK3CDPOLBHPGDNR1H2NR1H3
SCHEMBL516868 0.77 PIK3CD (0.38) PIK3CDPOLBHPGDNR1H2NR1H3

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-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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 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 (2 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY PIK3CD 1474/4885SMYD3 4420/4885CA12 1015/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY PIK3CD 1474/4885SMYD3 4420/4885CA12 1015/4885

“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.