SCHEMBL12487533

SCHEMBL12487533

CC(C)[C@H]1COCCN1C(=O)C1CCC(NC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
SMYD3 Q9H7B4 1/20 0.37
HTR3A P46098 1/20 0.34
CCR2 P41597 1/20 0.32
PDE7A Q13946 1/20 0.32
FKBP1A P62942 1/20 0.32
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32
TSHR P16473 2/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
PKM P14618 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD11B1 P28845 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL15640717 1.00 PIK3CD (0.41) PIK3CDSMYD3HTR3ACCR2PDE7A
SCHEMBL15640716 1.00 PIK3CD (0.41) PIK3CDSMYD3HTR3ACCR2PDE7A
SCHEMBL1908678 0.84 BTK (0.41) PIK3CDHSD11B1CA1CA2
SCHEMBL516710 0.81 PIK3CD (0.45) PIK3CDSMYD3FKBP1ATSHRHTT
SCHEMBL516711 0.81 PIK3CD (0.45) PIK3CDSMYD3FKBP1ATSHRHTT
SCHEMBL19465808 0.81 PIK3CD (0.45) PIK3CDSMYD3FKBP1ATSHRHTT
SCHEMBL516709 0.81 PIK3CD (0.45) PIK3CDSMYD3FKBP1ATSHRHTT
SCHEMBL19064665 0.81 PIK3CD (0.47) PIK3CDCCR2TSHRPKMSMN1; SMN2
SCHEMBL19065020 0.81 PIK3CD (0.47) PIK3CDCCR2TSHRPKMSMN1; SMN2
SCHEMBL15640278 0.79 PIK3CD (0.34) PIK3CDPDE7ATSHRMAPTSMN1; 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 6 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
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

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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY PIK3CD 1474/4885SMYD3 4420/4885HTR3A 4696/4885

“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.