SCHEMBL4153097

SCHEMBL4153097

CC(C)(C)C(=O)c1cc(Cl)c2[nH]ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.40
ACACB O00763 10/20 0.38
MAOB P27338 6/20 0.36
RPS6KB1 P23443 1/20 0.36
ROCK1 Q13464 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
ADORA2A P29274 2/20 0.36
MAOA P21397 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
SCHEMBL4136982 0.83 ACACB (0.48) ACACB
SCHEMBL14665967 0.82 LRRK2 (0.40) ACACBMAOBROCK1
SCHEMBL1144369 0.81 TTR (0.46) NOS1ACACBMAOBROCK1
SCHEMBL4137028 0.81 ACACB (0.40) ACACB
SCHEMBL16167681 0.79 RXRA (0.49) ACACBADORA2A
SCHEMBL12647582 0.79 NOS1 (0.40) NOS1ACACBMAOBADORA2AMAOA
SCHEMBL12664045 0.76 NOS1 (0.40) NOS1MAOB
SCHEMBL13495830 0.76 KDM4E (0.46) NOS1MAOBRPS6KB1ROCK1MAOA
SCHEMBL12673417 0.73 PIK3C3 (0.45)
SCHEMBL4400643 0.73 TTR (0.30)

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-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8802690-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. 2013-11-07 US disclosed
US-8507681-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2013-08-13 US disclosed
US-8507681-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2013-08-13 US disclosed
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2013-01-31 US disclosed
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2013-01-31 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 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-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY NOS1 1064/4885ACACB 2/4885MAOB 930/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY NOS1 1064/4885ACACB 2/4885MAOB 930/4885
US-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB NOS1 1020/4885ACACB 3/4885MAOB 1276/4885
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB NOS1 1034/4885ACACB 3/4885MAOB 1198/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY NOS1 1064/4885ACACB 2/4885MAOB 930/4885
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB NOS1 1020/4885ACACB 3/4885MAOB 1276/4885

“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.