SCHEMBL4137382

SCHEMBL4137382

CNc1cc2cc(C(=O)C(C)(C)C)ccc2cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.44
HCAR3 P49019 1/20 0.44
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
DYRK1A Q13627 11/20 0.40
GSK3B P49841 9/20 0.39
USP30 Q70CQ3 1/20 0.38
WNT1 P04628 2/20 0.38
MTOR P42345 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38

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
SCHEMBL16167687 0.94 NNMT (0.44) NNMTHCAR3ACACBACACA
SCHEMBL2671513 0.83 HCAR3 (0.60) NNMTHCAR3ACACBACACADYRK1A
SCHEMBL2671631 0.81 ALOX15 (0.49) NNMTHCAR3DYRK1AGSK3B
SCHEMBL4404906 0.79 HCAR3 (0.44) NNMTHCAR3ACACBACACADYRK1A
SCHEMBL16167680 0.79 NCF1 (0.43) NNMTHCAR3ACACBACACAMTOR
SCHEMBL4149854 0.79 PDPK1 (0.44) NNMTACACBACACADYRK1AGSK3B
SCHEMBL15934991 0.78 HCAR3 (0.66) NNMTHCAR3
SCHEMBL4145320 0.77 NCF1 (0.44) NNMTHCAR3ACACBACACAMTOR
SCHEMBL2671618 0.77 HCAR3 (0.60) NNMTHCAR3ACACBACACADYRK1A
SCHEMBL12663945 0.76 PROKR1 (0.42) NNMTHCAR3

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 11 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-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-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 (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-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY NNMT 372/4885HCAR3 1829/4885ACACB 2/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY NNMT 372/4885HCAR3 1829/4885ACACB 2/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY NNMT 372/4885HCAR3 1829/4885ACACB 2/4885

“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.