SCHEMBL518233

SCHEMBL518233

CCN(C(=O)C1(F)CCCCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SIGMAR1 Q99720 3/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 2/20 0.43
OPRM1 P35372 1/20 0.41
HTT P42858 1/20 0.40
PRCP P42785 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4862025 0.82 ALDH1A1 (0.53) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL6472114 0.81 ALDH1A1 (0.49) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL4558508 0.81 SLC6A2 (0.53) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL5538599 0.79 ALDH1A1 (0.50) ALDH1A1GLATSHRSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6926710 0.78 ALDH1A1 (0.49) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL6470512 0.78 ALDH1A1 (0.45) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL2432094 0.77 ALDH1A1 (0.51) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL2432523 0.77 ALDH1A1 (0.51) ALDH1A1GLATSHRSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2236360 0.76 ALDH1A1 (0.58) ALDH1A1GLATSHRSLC6A2SLC6A4
SCHEMBL2595399 0.76 TSHR (0.62) ALDH1A1GLATSHRSLC6A2SLC6A4

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 7 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-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-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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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 ALDH1A1 215/4885GLA 466/4885TSHR 4585/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALDH1A1 2069/4885GLA 4089/4885TSHR 271/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ALDH1A1 215/4885GLA 466/4885TSHR 4585/4885

“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.