SCHEMBL5632040

SCHEMBL5632040

CC(C)(C)CCn1ccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
IDH1 O75874 1/20 0.37
IDH2 P48735 1/20 0.37
AR P10275 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 3/20 0.35
PRMT6 Q96LA8 1/20 0.35
HTT P42858 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
CCR1 P32246 1/20 0.33
XBP1 P17861 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIN1 Q05586 1/20 0.32

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
SCHEMBL13249108 0.90 POLB (0.38) POLBLMNAIDH1IDH2AR
SCHEMBL13820023 0.89 POLB (0.32) POLBLMNA
SCHEMBL21325428 0.85 SLC6A2 (0.36) KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL15417666 0.81 LMNA (0.43) POLBLMNAIDH1IDH2AR
SCHEMBL13310634 0.81 AR (0.45) POLBLMNAIDH1IDH2AR
SCHEMBL23985503 0.79 SLC6A2 (0.34) LMNASLC6A2SLC6A4SLC6A3
SCHEMBL13270149 0.79 LMNA (0.41) POLBLMNAIDH1IDH2AR
SCHEMBL18872037 0.78 AR (0.37) POLBLMNAIDH1IDH2AR
SCHEMBL1780648 0.78 LMNA (0.40) POLBLMNAIDH1IDH2AR
SCHEMBL29168008 0.78 LMNA (0.37) POLBLMNAIDH1IDH2AR

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-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US claimed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US claimed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-9095138-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
US-20150098928-A9 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-09 US disclosed
US-20140127165-A1 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-05-08 US disclosed
US-8623875-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-20100179195-A1 ISOXAZOLINE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-07-15 US disclosed
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US disclosed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1448554-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SmithKline Beecham Corporation (US) 2004-08-25 EP disclosed
WO-2003031437-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 2003-04-17 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 (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-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases CTSK, CTSB, CTSS POLB 3674/4885LMNA 3009/4885IDH1 2419/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 POLB 4763/4885LMNA 649/4885IDH1 348/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 POLB 4763/4885LMNA 649/4885IDH1 348/4885
US-20150098928-A9 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 POLB 4204/4885LMNA 3243/4885IDH1 558/4885
US-20140127165-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 POLB 4204/4885LMNA 3243/4885IDH1 558/4885
US-20100179195-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 POLB 4204/4885LMNA 3243/4885IDH1 558/4885

“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.