SCHEMBL516877

SCHEMBL516877

C[C@@H](NC(=O)[C@H]1CC[C@H](N)CC1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.62
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.55
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.48

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
SCHEMBL516876 1.00 ACACB (0.62) ACACBHPGDGAASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1956617 0.99 ACACB (0.61) ACACBHPGDGAASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1953972 0.99 ACACB (0.61) ACACBHPGDGAASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1953975 0.99 ACACB (0.61) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL19200906 0.93 ACACB (0.71) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL6922906 0.85 POLB (0.71) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL516894 0.85 RECQL (0.75) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL516893 0.85 RECQL (0.75) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL6457656 0.85 POLB (0.71) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL527596 0.85 POLB (0.71) ACACBHPGDGAASMN1; SMN2POLB

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 19 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
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-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
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 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
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 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 (3 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 ACACB 2/4885HPGD 526/4885GAA 339/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ACACB 2/4885HPGD 526/4885GAA 339/4885
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF CYP3A5, CYP11B2, CNR2 ACACB 1069/4885HPGD 117/4885GAA 383/4885

“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.