SCHEMBL4047293

SCHEMBL4047293

CC(C)C(c1ccc(N)cc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GOPC Q9HD26 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP19A1 P11511 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP17A1 P05093 2/20 0.38
GAA P10253 1/20 0.38
TBXAS1 P24557 1/20 0.38
KCNE1 P15382 1/20 0.37
KCNA5 P22460 1/20 0.37
KCNQ1 P51787 1/20 0.37
KCND3 Q9UK17 1/20 0.37

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
SCHEMBL10442614 0.87 CFTR (0.54) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL10442149 0.85 CFTR (0.59) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL17069272 0.85 CFTR (0.59) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL5018916 0.84 CFTR (0.44) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11633010 0.83 CYP19A1 (0.64) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL9721076 0.79 MAPT (0.44) KDM4ECYP17A1GAA
SCHEMBL31090354 0.75 SMN1; SMN2 (0.72) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL10236 0.75
SCHEMBL30391667 0.75
SCHEMBL3887188 0.74 CFTR (0.62) CFTRSLC6A2SLC6A4SLC6A3GOPC

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-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed
US-20080058334-A1 Retinoic Acid Mimetic Anilides MABIRE DOMINIQUE 2008-03-06 US disclosed
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US disclosed
US-7179825-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-6936626-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-30 US disclosed
US-20050165018-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2005-07-28 US disclosed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-20020115653-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2002-08-22 US disclosed
US-6319939-B1 P-(HETEROCYCLIC METHYL)-SUBSTUTED ANILIDES ARE POTENT INHIBITORS OF THE RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 2001-11-20 US disclosed
EP-1037880-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP disclosed
WO-1999029674-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 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 (4 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-20020115653-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CFTR 1032/4885SLC6A2 4387/4885SLC6A4 4254/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CFTR 1400/4885SLC6A2 4146/4885SLC6A4 3875/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CFTR 1644/4885SLC6A2 4120/4885SLC6A4 3957/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CFTR 1400/4885SLC6A2 4146/4885SLC6A4 3875/4885

“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.