SCHEMBL975307

SCHEMBL975307

CCN(CC)C(=O)C1CCCN(C2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.66
ACACA Q13085 1/20 0.66
ALDH1A1 P00352 4/20 0.60
RAB9A P51151 4/20 0.58
PKM P14618 1/20 0.58
NPC1 O15118 2/20 0.56
HTT P42858 1/20 0.56
BCHE P06276 1/20 0.55
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.49

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
SCHEMBL6182181 0.83 ACACB (0.79) ACACBACACAKDM4ELMNAHPGD
SCHEMBL6183974 0.81 ACACB (0.78) ACACBACACAALDH1A1KDM4ELMNA
SCHEMBL3462988 0.79 ACACB (1.00) ACACBACACAKDM4ELMNAHPGD
SCHEMBL977942 0.79 ACACB (1.00) ACACBACACAKDM4ELMNAHPGD
SCHEMBL3465044 0.79 ACACB (1.00) ACACBACACAKDM4ELMNAHPGD
SCHEMBL6182404 0.78 ACACB (0.70) ACACBACACABCHEKDM4ELMNA
SCHEMBL6181355 0.77 ACACB (0.94) ACACBACACAKDM4ELMNAHPGD
SCHEMBL6184046 0.76 ACACB (0.66) ACACBACACAALDH1A1RAB9ANPC1
SCHEMBL6183674 0.76 ACACB (0.80) ACACBACACAKDM4ELMNAHPGD
SCHEMBL6184710 0.75 ACACB (0.66) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 US claimed
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP claimed
EP-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 EP claimed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 US claimed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 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
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20110003767-A1 Inhibitors of Acetyl-CoA Carboxylase for Treatment of Neuronal Hypometabolism NEUERA PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-6979741-B2 Acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2005-12-27 US disclosed
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP disclosed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 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 (6 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 ACACB 312/4885ACACA 702/4885ALDH1A1 1469/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 ACACB 312/4885ACACA 702/4885ALDH1A1 1469/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 ACACB 312/4885ACACA 702/4885ALDH1A1 1469/4885
US-20110003767-A1 Inhibitors of Acetyl-CoA Carboxylase for Treatment of Neuronal Hypometabolism ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885ALDH1A1 168/4885
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885ALDH1A1 654/4885
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY HAVCR2, MAVS, ZC3HAV1 ACACB 949/4885ACACA 1144/4885ALDH1A1 1175/4885

“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.