SCHEMBL3459079

SCHEMBL3459079

O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 1.00
ACACA Q13085 14/20 1.00
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM3 P20309 1/20 0.46
ADRA1A P35348 2/20 0.46

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
SCHEMBL976549 1.00 ACACB (1.00) ACACBACACAMEN1KMT2AL3MBTL3
Hydrochloric Acid SCHEMBL6181697 0.99 ACACB (0.98) ACACBACACAMEN1KMT2AL3MBTL3
SCHEMBL6182670 0.96 ACACB (0.93) ACACBACACAMEN1KMT2AL3MBTL3
SCHEMBL977641 0.93 ACACB (0.86) ACACBACACACHRM3
SCHEMBL977639 0.93 ACACB (0.86) ACACBACACACHRM3
SCHEMBL6183505 0.92 ACACB (0.84) ACACBACACAL3MBTL3L3MBTL1
SCHEMBL976349 0.91 ACACB (0.83) ACACBACACAL3MBTL3L3MBTL1
SCHEMBL2622325 0.91 ACACB (0.83) ACACBACACAL3MBTL3L3MBTL1
SCHEMBL6181556 0.89 ACACB (0.80) ACACBACACA
SCHEMBL6491415 0.88 ACACB (0.78) ACACBACACAL3MBTL3L3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150265-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM Neuera Pharmaceuticals, Inc. (US) 2010-02-10 EP claimed
WO-2008140828-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM ACCERA, INC. (US) 2008-11-20 WO claimed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
EP-2581081-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-04-17 EP disclosed
EP-2572712-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-27 EP disclosed
WO-2012139028-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-10-11 WO disclosed
US-7884189-B2 Acetyl-CoA carboxylase active domain for use as tool in designing antibiotic compounds, herbicide compounds, fungicide compounds; generating herbicide resistant plants; antidiabetic agents; antiobesity agents THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-02-08 US disclosed
EP-2150265-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM Neuera Pharmaceuticals, Inc. (US) 2010-02-10 EP disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO disclosed
WO-2008140828-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM ACCERA, INC. (US) 2008-11-20 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 (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-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 ACACB 312/4885ACACA 702/4885MEN1 4221/4885
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY HAVCR2, MAVS, ZC3HAV1 ACACB 949/4885ACACA 1144/4885MEN1 4738/4885

“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.