SCHEMBL1908625

SCHEMBL1908625

C[C@H]1CC[C@H](C(=O)N2CCOC[C@@H]2C2CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PKM P14618 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HCRTR2 O43614 1/20 0.33
PIK3CD O00329 2/20 0.32
RECQL P46063 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
SCHEMBL19465724 0.85 TSHR (0.34) MAPTTSHRSMN1; SMN2POLBHPGD
SCHEMBL1908622 0.85 TSHR (0.34) MAPTTSHRSMN1; SMN2POLBHPGD
SCHEMBL19065051 0.84 TSHR (0.43) TSHRSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL19063336 0.84 TSHR (0.43) TSHRSMN1; SMN2HPGDGAAALDH1A1
Hydrochloric Acid SCHEMBL516786 0.84 TSHR (0.33) MAPTTSHRSMN1; SMN2POLBHPGD
Hydrochloric Acid SCHEMBL516787 0.84 TSHR (0.33) MAPTTSHRSMN1; SMN2POLBHPGD
Hydrochloric Acid SCHEMBL516785 0.84 TSHR (0.33) MAPTTSHRSMN1; SMN2POLBHPGD
SCHEMBL12486387 0.80 PIK3CD (0.34) MAPTTSHRSMN1; SMN2GAAKMT2A
SCHEMBL15640278 0.80 PIK3CD (0.34) MAPTTSHRSMN1; SMN2GAAKMT2A
SCHEMBL15640279 0.80 PIK3CD (0.34) MAPTTSHRSMN1; SMN2GAAKMT2A

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-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 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 MAPT 1271/4885TSHR 4585/4885SMN1; SMN2 4695/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY MAPT 1271/4885TSHR 4585/4885SMN1; SMN2 4695/4885

“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.