Sugi Predict

Sugi Predict / Compounds / SCHEMBL1908622

SCHEMBL1908622

SCHEMBL1908622

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 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
▸ SMYD3 Q9H7B4 9/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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 1.00 TSHR (0.34) TSHRSMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL516787 0.98 TSHR (0.33) TSHRSMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL516785 0.98 TSHR (0.33) TSHRSMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL516786 0.98 TSHR (0.33) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL1908625 0.85 MAPT (0.40) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL19063336 0.84 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL19065051 0.84 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL15640278 0.80 PIK3CD (0.34) TSHRSMN1; SMN2MAPTALDH1A1PIK3CD
SCHEMBL12486387 0.80 PIK3CD (0.34) TSHRSMN1; SMN2MAPTALDH1A1PIK3CD
SCHEMBL15640279 0.80 PIK3CD (0.34) TSHRSMN1; SMN2MAPTALDH1A1PIK3CD

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
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-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
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 — — WO 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 TSHR 4585/4885SMN1; SMN2 4695/4885CA12 1015/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY TSHR 4585/4885SMN1; SMN2 4695/4885CA12 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.