SCHEMBL518232

SCHEMBL518232

CCC1CCCCC1(C(N)=O)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.43
OPRL1 P41146 2/20 0.41
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNN4 O15554 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL6472112 0.85 HDAC4 (0.45) HDAC4ALDH1A1KMT2ANPC1RAB9A
SCHEMBL5538596 0.84 LMNA (0.40) ALDH1A1LMNAHTTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6926708 0.83 LMNA (0.40) ALDH1A1LMNAHTTKMT2AL3MBTL1
SCHEMBL6470509 0.82 SLC6A9 (0.37) EPHX1
SCHEMBL6922910 0.80 HSD11B1 (0.40) ALDH1A1LMNAHTTOPRM1OPRD1
SCHEMBL2120953 0.78 TRPA1 (0.43) ALDH1A1LMNAMAPTTP53KMT2A
SCHEMBL14232917 0.74 HDAC4 (0.46) HDAC4OPRL1HTTRECQLMAPT
SCHEMBL28838197 0.73 AKR1C1 (0.45) OPRM1
SCHEMBL6923376 0.73 SLC6A4 (0.43) ALDH1A1LMNAMAPTKMT2ANPC1
SCHEMBL43075 0.72 HDAC4 (0.65) HDAC4OPRL1ALDH1A1LMNAHTT

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-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
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 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 (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 HDAC4 231/4885OPRL1 4003/4885ALDH1A1 215/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 HDAC4 1085/4885OPRL1 26/4885ALDH1A1 2069/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY HDAC4 231/4885OPRL1 4003/4885ALDH1A1 215/4885

“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.