SCHEMBL635969

SCHEMBL635969

CC(C)c1cc(Br)cc(C(C)C)c1N(C)C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
GSR P00390 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL23204128 0.78 GABRA1 (0.46) GABRA1GABRB1GSRCA1CA2
SCHEMBL27721694 0.76 GABRA1 (0.30) GABRA1GABRB1
SCHEMBL1123691 0.74 GSR (0.44) GSRCA1CA2
SCHEMBL27721695 0.74 GSR (0.31) GSRCA1CA2
SCHEMBL20681258 0.74 GABRA1 (0.64) GABRA1GABRB1CA1CA2
SCHEMBL636030 0.73 GSR (0.31) GSR
SCHEMBL13993252 0.72 GABRA1 (0.61) GABRA1GABRB1CA1CA2
SCHEMBL22899728 0.72 GABRA1 (0.61) GABRA1GABRB1CA1CA2
SCHEMBL11590660 0.71 ALDH1A1 (0.44)
SCHEMBL636031 0.71

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
US-8691718-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-08 US disclosed
US-8691718-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-08 US disclosed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP disclosed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP disclosed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
EP-2146951-B1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2010-12-01 EP disclosed
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-14 US disclosed
EP-2146951-A2 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2010-01-27 EP disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
WO-2008152260-A2 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP 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-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS RARA, RARB, RARG GABRA1 105/4885GABRB1 224/4885GSR 1644/4885
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S GABRA1 4474/4885GABRB1 4650/4885GSR 3602/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S GABRA1 4474/4885GABRB1 4650/4885GSR 3602/4885

“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.